#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:08:31 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179095 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/57/4305738.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4305738
loop_
_publ_author_name
'Wenlong Liu'
'Kyungjin Lee'
'Mira Park'
'Rohith P. John'
'Dohyun Moon'
'Yang Zou'
'Xinfang Liu'
'Hyeong-Cheol Ri'
'Ghyung Hwa Kim'
'Myoung Soo Lah'
_publ_section_title
;
Novel 48-Membered Hexadecanuclear and 60-Membered Icosanuclear Manganese
Metallamacrocycles
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8807
_journal_page_last               8812
_journal_paper_doi               10.1021/ic800708z
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C481 H460 Mn20 N41 O80'
_chemical_formula_sum            'C481 H460 Mn20 N41 O80'
_chemical_formula_weight         9193.70
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.87(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   35.376(7)
_cell_length_b                   24.484(5)
_cell_length_c                   36.769(7)
_cell_measurement_reflns_used    64272
_cell_measurement_temperature    89(2)
_cell_measurement_theta_max      23.38
_cell_measurement_theta_min      1.11
_cell_volume                     29758(12)
_computing_cell_refinement       HKL2000
_computing_data_collection       'PAL ADSC Quantum-210'
_computing_data_reduction        HKL2000
_computing_molecular_graphics    ORTEP3
_computing_publication_material  WinGX
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      89(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi scans'
_diffrn_radiation_monochromator  'Pt coated Si double crystal'
_diffrn_radiation_source         'Fixed gap multipole wiggler beamline'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.77000
_diffrn_reflns_av_R_equivalents  0.0630
_diffrn_reflns_av_sigmaI/netI    0.1140
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            120456
_diffrn_reflns_theta_full        23.38
_diffrn_reflns_theta_max         23.38
_diffrn_reflns_theta_min         1.11
_exptl_absorpt_coefficient_mu    0.468
_exptl_absorpt_correction_T_max  0.9374
_exptl_absorpt_correction_T_min  0.8724
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   HKL2000-Scalepack
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.026
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             9546
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.501
_refine_diff_density_min         -0.302
_refine_diff_density_rms         0.076
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.534(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.861
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     3101
_refine_ls_number_reflns         64272
_refine_ls_number_restraints     69
_refine_ls_restrained_S_all      0.870
_refine_ls_R_factor_all          0.1750
_refine_ls_R_factor_gt           0.1030
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1950P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2684
_refine_ls_wR_factor_ref         0.3080
_reflns_number_gt                24805
_reflns_number_total             64272
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800708z_si_001_2.cif
_cod_data_source_block           complex2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        29759(10)
_cod_database_code               4305738
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1A Mn -0.03848(8) 0.03138(11) -0.08437(7) 0.155 Uani 1 1 d . . .
O1A O -0.0935(3) 0.0066(5) -0.1005(3) 0.189 Uani 1 1 d . . .
O2A O -0.0903(3) 0.1188(4) -0.1887(3) 0.151 Uani 1 1 d . . .
O3A O 0.0125(3) 0.0675(4) -0.0787(3) 0.151 Uani 1 1 d . . .
O4A O -0.0147(4) -0.0415(5) -0.1039(3) 0.198 Uani 1 1 d D . .
N1A N -0.0520(4) 0.0711(5) -0.1352(3) 0.137 Uani 1 1 d . . .
N2A N -0.0178(2) 0.1012(3) -0.1373(2) 0.143 Uani 1 1 d . . .
C1A C -0.1190(2) 0.0198(3) -0.1306(2) 0.221 Uani 1 1 d R . .
C2A C -0.1229(2) 0.0511(3) -0.1633(2) 0.170 Uani 1 1 d R . .
C3A C -0.1590(2) 0.0508(3) -0.1950(2) 0.256 Uani 1 1 d R . .
C4A C -0.1913(2) 0.0191(3) -0.1940(2) 0.215 Uani 1 1 d R . .
C5A C -0.1874(2) -0.0122(3) -0.1614(2) 0.249 Uani 1 1 d R . .
C6A C -0.1512(2) -0.0119(3) -0.1297(2) 0.284 Uani 1 1 d R . .
C7A C -0.0860(5) 0.0834(7) -0.1600(4) 0.147 Uani 1 1 d . . .
C8A C 0.0119(4) 0.0968(6) -0.1087(4) 0.139 Uani 1 1 d . . .
C9A C 0.0487(5) 0.1264(7) -0.1048(4) 0.169 Uani 1 1 d . . .
C10A C 0.09038(16) 0.0936(2) -0.08707(16) 0.212 Uani 1 1 d . . .
C11A C 0.12580(16) 0.1254(2) -0.08250(16) 0.131 Uiso 1 1 d R . .
C12A C 0.13073(16) 0.1597(2) -0.11058(16) 0.167 Uiso 1 1 d R . .
C13A C 0.16650(16) 0.1888(2) -0.10264(16) 0.156 Uiso 1 1 d R . .
C14A C 0.19734(16) 0.1836(2) -0.06661(16) 0.233 Uiso 1 1 d R . .
C15A C 0.19241(16) 0.1493(2) -0.03853(16) 0.256 Uiso 1 1 d R . .
C16A C 0.15664(16) 0.1201(2) -0.04647(16) 0.231 Uiso 1 1 d R . .
C17A C 0.09105(16) 0.0404(2) -0.11302(16) 0.173 Uiso 1 1 d R . .
C18A C 0.06969(16) 0.0436(2) -0.15283(16) 0.150 Uiso 1 1 d R . .
C19A C 0.07110(16) 0.0006(2) -0.17697(16) 0.158 Uiso 1 1 d R . .
C20A C 0.09386(16) -0.0457(2) -0.16129(16) 0.230 Uiso 1 1 d R . .
C21A C 0.11522(16) -0.0489(2) -0.12147(16) 0.241 Uiso 1 1 d R . .
C22A C 0.11382(16) -0.0058(2) -0.09734(16) 0.242 Uiso 1 1 d R . .
C23A C 0.0017(15) -0.0940(14) -0.1056(11) 0.506 Uiso 1 1 d D . .
C24A C 0.0305(8) -0.1207(11) -0.0691(8) 0.285 Uiso 1 1 d D . .
Mn1B Mn -0.03921(8) 0.15012(11) -0.19180(7) 0.161 Uani 1 1 d . . .
O1B O -0.0317(3) 0.2186(5) -0.1648(3) 0.194 Uani 1 1 d . . .
O2B O 0.0567(4) 0.2227(5) -0.2094(3) 0.200 Uani 1 1 d . . .
O3B O -0.0376(3) 0.0908(4) -0.2260(2) 0.150 Uani 1 1 d . . .
O4B O -0.0800(5) 0.1990(5) -0.2423(4) 0.207 Uani 1 1 d D . .
N1B N 0.0038(5) 0.1669(6) -0.2082(4) 0.182 Uani 1 1 d . . .
N2B N 0.0113(2) 0.1350(3) -0.23557(17) 0.173 Uani 1 1 d . . .
C1B C -0.0002(2) 0.2508(3) -0.14870(17) 0.173 Uani 1 1 d R . .
C2B C -0.0012(2) 0.2856(3) -0.11919(17) 0.186 Uani 1 1 d R . .
C3B C 0.0307(2) 0.3212(3) -0.10174(17) 0.222 Uani 1 1 d R . .
C4B C 0.0637(2) 0.3220(3) -0.11380(17) 0.199 Uani 1 1 d R . .
C5B C 0.0648(2) 0.2873(3) -0.14332(17) 0.188 Uani 1 1 d R . .
C6B C 0.0329(2) 0.2517(3) -0.16077(17) 0.161 Uani 1 1 d R . .
C7B C 0.0285(5) 0.2124(7) -0.1965(4) 0.167 Uani 1 1 d . . .
C8B C -0.0144(5) 0.0985(7) -0.2464(4) 0.165 Uani 1 1 d D . .
C9B C -0.0078(5) 0.0568(7) -0.2738(4) 0.227 Uani 1 1 d D . .
C10B C -0.0476(3) 0.0586(4) -0.3124(2) 0.329 Uani 1 1 d D . .
C11B C -0.0320(3) 0.0142(4) -0.3340(2) 0.268 Uiso 1 1 d R . .
C12B C -0.0107(3) 0.0151(4) -0.3594(2) 0.338 Uiso 1 1 d R . .
C13B C -0.0053(3) -0.0328(4) -0.3771(2) 0.517 Uiso 1 1 d R . .
C14B C -0.0211(3) -0.0817(4) -0.3696(2) 0.474 Uiso 1 1 d R . .
C15B C -0.0423(3) -0.0826(4) -0.3442(2) 0.340 Uiso 1 1 d R . .
C16B C -0.0477(3) -0.0346(4) -0.3264(2) 0.302 Uiso 1 1 d R . .
C17B C -0.0664(3) 0.0821(4) -0.3169(2) 0.242 Uiso 1 1 d RD . .
C18B C -0.1054(3) 0.0611(4) -0.3283(2) 0.235 Uiso 1 1 d R . .
C19B C -0.1381(3) 0.0925(4) -0.3509(2) 0.370 Uiso 1 1 d R . .
C20B C -0.1317(3) 0.1449(4) -0.3622(2) 0.542 Uiso 1 1 d R . .
C21B C -0.0927(3) 0.1658(4) -0.3508(2) 1.017 Uiso 1 1 d R . .
C22B C -0.0600(3) 0.1344(4) -0.3282(2) 0.723 Uiso 1 1 d R . .
C23B C -0.1157(8) 0.1799(12) -0.2665(9) 0.324 Uiso 1 1 d D . .
C24B C -0.1488(10) 0.2171(17) -0.2856(11) 0.416 Uiso 1 1 d D . .
Mn1C Mn 0.06446(9) 0.17697(12) -0.25022(9) 0.193 Uani 1 1 d . . .
O1C O 0.0289(5) 0.2185(7) -0.2853(4) 0.273 Uani 1 1 d . . .
O2C O 0.0674(4) 0.0822(6) -0.3450(3) 0.213 Uani 1 1 d . . .
O3C O 0.0998(3) 0.1287(4) -0.2170(3) 0.160 Uani 1 1 d . . .
O4C O 0.1154(4) 0.2309(5) -0.2502(3) 0.180 Uani 1 1 d D . .
N1C N 0.0751(4) 0.1263(5) -0.2852(4) 0.174 Uani 1 1 d . . .
N2C N 0.1013(2) 0.0854(4) -0.2708(2) 0.147 Uani 1 1 d . . .
C1C C 0.0161(2) 0.2055(4) -0.3234(2) 0.334 Uani 1 1 d R . .
C2C C -0.0006(2) 0.2541(4) -0.3415(2) 0.568 Uani 1 1 d R . .
C3C C -0.0131(2) 0.2587(4) -0.3817(2) 0.822 Uani 1 1 d R . .
C4C C -0.0088(2) 0.2147(4) -0.4038(2) 1.331 Uani 1 1 d R . .
C5C C 0.0079(2) 0.1661(4) -0.3857(2) 0.926 Uani 1 1 d R . .
C6C C 0.0204(2) 0.1615(4) -0.3455(2) 0.249 Uani 1 1 d R . .
C7C C 0.0525(6) 0.1225(12) -0.3295(6) 0.237 Uani 1 1 d . . .
C8C C 0.1156(4) 0.0941(7) -0.2320(4) 0.144 Uani 1 1 d . . .
C9C C 0.1491(5) 0.0492(9) -0.2062(6) 0.206 Uani 1 1 d . . .
C10C C 0.17378(16) 0.0707(2) -0.17484(16) 0.130 Uani 1 1 d . . .
C11C C 0.20616(16) 0.1105(2) -0.18069(16) 0.161 Uiso 1 1 d R . .
C12C C 0.20580(16) 0.1260(2) -0.21718(16) 0.125 Uiso 1 1 d R . .
C13C C 0.23278(16) 0.1653(2) -0.22037(16) 0.131 Uiso 1 1 d R . .
C14C C 0.26011(16) 0.1892(2) -0.18706(16) 0.161 Uiso 1 1 d R . .
C15C C 0.26046(16) 0.1737(2) -0.15058(16) 0.221 Uiso 1 1 d R . .
C16C C 0.23349(16) 0.1343(2) -0.14739(16) 0.161 Uiso 1 1 d R . .
C17C C 0.19457(16) 0.0204(2) -0.14895(16) 0.200 Uiso 1 1 d R . .
C18C C 0.21758(16) -0.0151(2) -0.16214(16) 0.187 Uiso 1 1 d R . .
C19C C 0.24673(16) -0.0479(2) -0.13587(16) 0.286 Uiso 1 1 d R . .
C20C C 0.25289(16) -0.0452(2) -0.09641(16) 0.507 Uiso 1 1 d R . .
C21C C 0.22988(16) -0.0098(2) -0.08322(16) 0.339 Uiso 1 1 d R . .
C22C C 0.20072(16) 0.0230(2) -0.10949(16) 0.383 Uiso 1 1 d R . .
C23C C 0.1474(6) 0.2500(10) -0.2167(7) 0.233 Uiso 1 1 d D . .
C24C C 0.1509(14) 0.234(2) -0.1778(8) 0.473 Uiso 1 1 d D . .
Mn1D Mn 0.11153(8) 0.03447(12) -0.31667(8) 0.169 Uani 1 1 d . . .
O1D O 0.0833(3) -0.0215(4) -0.3038(2) 0.151 Uani 1 1 d . . .
O2D O 0.2019(3) -0.0775(4) -0.2679(3) 0.151 Uani 1 1 d . . .
O3D O 0.1504(3) 0.0850(4) -0.3238(3) 0.149 Uani 1 1 d . . .
O4D O 0.1002(4) -0.0005(8) -0.3750(3) 0.254 Uani 1 1 d D . .
N1D N 0.1602(4) -0.0043(5) -0.2959(4) 0.156 Uani 1 1 d . . .
N2D N 0.19558(18) 0.0171(3) -0.30062(18) 0.137 Uani 1 1 d . . .
C1D C 0.09637(18) -0.0625(3) -0.28153(18) 0.166 Uani 1 1 d R . .
C2D C 0.06712(18) -0.0898(3) -0.27140(18) 0.158 Uani 1 1 d R . .
C3D C 0.07754(18) -0.1361(3) -0.24798(18) 0.265 Uani 1 1 d R . .
C4D C 0.11720(18) -0.1549(3) -0.23468(18) 0.217 Uani 1 1 d R . .
C5D C 0.14645(18) -0.1275(3) -0.24480(18) 0.196 Uani 1 1 d R . .
C6D C 0.13603(18) -0.0813(3) -0.26822(18) 0.165 Uani 1 1 d R . .
C7D C 0.1690(4) -0.0512(8) -0.2786(4) 0.144 Uani 1 1 d . . .
C8D C 0.1830(6) 0.0693(8) -0.3149(6) 0.197 Uani 1 1 d . . .
C9D C 0.2228(4) 0.1013(6) -0.3180(3) 0.124 Uani 1 1 d . . .
C10D C 0.20239(17) 0.1298(3) -0.36090(13) 0.159 Uani 1 1 d . . .
C11D C 0.19145(17) 0.0924(3) -0.39347(13) 0.155 Uiso 1 1 d R . .
C12D C 0.20333(17) 0.0381(3) -0.39232(13) 0.279 Uiso 1 1 d R . .
C13D C 0.18945(17) 0.0064(3) -0.42583(13) 0.460 Uiso 1 1 d R . .
C14D C 0.16369(17) 0.0289(3) -0.46049(13) 0.273 Uiso 1 1 d R . .
C15D C 0.15181(17) 0.0832(3) -0.46164(13) 0.756 Uiso 1 1 d R . .
C16D C 0.16569(17) 0.1149(3) -0.42813(13) 0.368 Uiso 1 1 d R . .
C17D C 0.23512(17) 0.1671(3) -0.36420(13) 0.154 Uiso 1 1 d R . .
C18D C 0.22590(17) 0.2224(3) -0.36642(13) 0.187 Uiso 1 1 d R . .
C19D C 0.25415(17) 0.2606(3) -0.36856(13) 0.194 Uiso 1 1 d R . .
C20D C 0.29161(17) 0.2433(3) -0.36849(13) 0.152 Uiso 1 1 d R . .
C21D C 0.30083(17) 0.1879(3) -0.36627(13) 0.203 Uiso 1 1 d R . .
C22D C 0.27259(17) 0.1498(3) -0.36413(13) 0.144 Uiso 1 1 d R . .
C23D C 0.0770(10) 0.0184(13) -0.4128(7) 0.335 Uiso 1 1 d D . .
C24D C 0.0609(11) -0.0278(15) -0.4405(9) 0.375 Uiso 1 1 d D . .
Mn1E Mn 0.24845(7) -0.04392(10) -0.27667(8) 0.152 Uani 1 1 d . . .
O1E O 0.2344(3) -0.0756(4) -0.3281(3) 0.138 Uani 1 1 d . . .
O2E O 0.3298(2) 0.0425(3) -0.3129(2) 0.109 Uani 1 1 d . . .
O3E O 0.2661(3) -0.0081(4) -0.2294(3) 0.148 Uani 1 1 d . . .
O4E O 0.2804(3) -0.1159(4) -0.2504(4) 0.169 Uani 1 1 d D . .
N1E N 0.2923(3) -0.0008(4) -0.2829(4) 0.133 Uani 1 1 d . . .
N2E N 0.31500(16) 0.0316(2) -0.24886(17) 0.130 Uani 1 1 d . . .
C1E C 0.25772(16) -0.0719(2) -0.35079(17) 0.163 Uani 1 1 d R . .
C2E C 0.24466(16) -0.1051(2) -0.38361(17) 0.210 Uani 1 1 d R . .
C3E C 0.26493(16) -0.1044(2) -0.40979(17) 0.210 Uani 1 1 d R . .
C4E C 0.29825(16) -0.0705(2) -0.40314(17) 0.155 Uani 1 1 d R . .
C5E C 0.31131(16) -0.0373(2) -0.37032(17) 0.132 Uani 1 1 d R . .
C6E C 0.29105(16) -0.0380(2) -0.34415(17) 0.146 Uani 1 1 d R . .
C7E C 0.3049(4) 0.0040(5) -0.3127(4) 0.120 Uani 1 1 d . . .
C8E C 0.2985(4) 0.0262(7) -0.2213(4) 0.141 Uani 1 1 d . . .
C9E C 0.3177(4) 0.0674(6) -0.1875(5) 0.148 Uani 1 1 d . . .
C10E C 0.3208(2) 0.0399(3) -0.1437(2) 0.230 Uani 1 1 d . . .
C11E C 0.3528(2) -0.0233(3) -0.1358(2) 0.410 Uiso 1 1 d R . .
C12E C 0.3805(2) -0.0253(3) -0.1548(2) 0.192 Uiso 1 1 d R . .
C13E C 0.4149(2) -0.0575(3) -0.1401(2) 0.161 Uiso 1 1 d R . .
C14E C 0.4218(2) -0.0877(3) -0.1063(2) 0.498 Uiso 1 1 d R . .
C15E C 0.3942(2) -0.0857(3) -0.0873(2) 0.751 Uiso 1 1 d R . .
C16E C 0.3597(2) -0.0535(3) -0.1021(2) 0.610 Uiso 1 1 d R . .
C17E C 0.3373(2) 0.0724(3) -0.1172(2) 0.264 Uiso 1 1 d R . .
C18E C 0.3705(2) 0.1030(3) -0.1167(2) 0.200 Uiso 1 1 d R . .
C19E C 0.3898(2) 0.1372(3) -0.0854(2) 0.532 Uiso 1 1 d R . .
C20E C 0.3758(2) 0.1408(3) -0.0547(2) 0.314 Uiso 1 1 d R . .
C21E C 0.3426(2) 0.1102(3) -0.0552(2) 0.287 Uiso 1 1 d R . .
C22E C 0.3233(2) 0.0760(3) -0.0864(2) 0.362 Uiso 1 1 d R . .
C23E C 0.3127(7) -0.1239(12) -0.2140(7) 0.283 Uiso 1 1 d D . .
C24E C 0.2974(12) -0.1557(17) -0.1878(10) 0.417 Uiso 1 1 d D . .
Mn1F Mn 0.35964(6) 0.08001(9) -0.26392(6) 0.125 Uani 1 1 d . . .
O1F O 0.3290(3) 0.1433(3) -0.2697(3) 0.136 Uani 1 1 d . . .
O2F O 0.4328(3) 0.1706(4) -0.1695(3) 0.155 Uani 1 1 d . . .
O3F O 0.3966(3) 0.0195(3) -0.2508(2) 0.120 Uani 1 1 d . . .
O4F O 0.3959(3) 0.1156(4) -0.2962(3) 0.148 Uani 1 1 d D . .
N1F N 0.3977(3) 0.1074(5) -0.2168(3) 0.126 Uani 1 1 d . . .
N2F N 0.43316(17) 0.0805(2) -0.20349(15) 0.130 Uani 1 1 d . . .
C1F C 0.33363(17) 0.1863(2) -0.24782(15) 0.105 Uani 1 1 d R . .
C2F C 0.30324(17) 0.2253(2) -0.26137(15) 0.125 Uani 1 1 d R . .
C3F C 0.30534(17) 0.2733(2) -0.24057(15) 0.138 Uani 1 1 d R . .
C4F C 0.33783(17) 0.2823(2) -0.20620(15) 0.143 Uani 1 1 d R . .
C5F C 0.36822(17) 0.2434(2) -0.19265(15) 0.160 Uani 1 1 d R . .
C6F C 0.36612(17) 0.1954(2) -0.21345(15) 0.132 Uani 1 1 d R . .
C7F C 0.4044(5) 0.1611(6) -0.1953(4) 0.135 Uani 1 1 d . . .
C8F C 0.4307(4) 0.0324(5) -0.2200(4) 0.116 Uani 1 1 d . . .
C9F C 0.4664(4) -0.0066(5) -0.2094(3) 0.109 Uani 1 1 d . . .
C10F C 0.45913(16) -0.0506(2) -0.23827(16) 0.143 Uani 1 1 d . . .
C11F C 0.48493(16) -0.0991(2) -0.22349(16) 0.191 Uiso 1 1 d R . .
C12F C 0.52596(16) -0.0887(2) -0.20486(16) 0.183 Uiso 1 1 d R . .
C13F C 0.55319(16) -0.1318(2) -0.19332(16) 0.204 Uiso 1 1 d R . .
C14F C 0.53940(16) -0.1854(2) -0.20042(16) 0.236 Uiso 1 1 d R . .
C15F C 0.49838(16) -0.1957(2) -0.21906(16) 0.208 Uiso 1 1 d R . .
C16F C 0.47114(16) -0.1526(2) -0.23060(16) 0.538 Uiso 1 1 d R . .
C17F C 0.45638(16) -0.0338(2) -0.27866(16) 0.133 Uiso 1 1 d R . .
C18F C 0.42521(16) -0.0531(2) -0.31123(16) 0.150 Uiso 1 1 d R . .
C19F C 0.42236(16) -0.0362(2) -0.34819(16) 0.224 Uiso 1 1 d R . .
C20F C 0.45068(16) 0.0000(2) -0.35260(16) 0.157 Uiso 1 1 d R . .
C21F C 0.48185(16) 0.0193(2) -0.32003(16) 0.178 Uiso 1 1 d R . .
C22F C 0.48470(16) 0.0024(2) -0.28306(16) 0.166 Uiso 1 1 d R . .
N3F N 0.4026(3) 0.1397(5) -0.3515(3) 0.149 Uiso 1 1 d D . .
C23F C 0.3907(5) 0.1046(8) -0.3282(5) 0.190 Uiso 1 1 d D . .
C24F C 0.4313(15) 0.1832(17) -0.3331(12) 0.553 Uiso 1 1 d D . .
C25F C 0.3943(6) 0.1284(8) -0.3922(5) 0.206 Uiso 1 1 d D . .
Mn1G Mn 0.47992(7) 0.12571(10) -0.15452(6) 0.144 Uani 1 1 d . . .
O1G O 0.5017(3) 0.1584(4) -0.1899(2) 0.159 Uani 1 1 d . . .
O2G O 0.5762(2) 0.0235(4) -0.1427(2) 0.133 Uani 1 1 d . . .
O3G O 0.4667(3) 0.0856(4) -0.1140(3) 0.154 Uani 1 1 d . . .
O4G O 0.5105(4) 0.1906(5) -0.1098(3) 0.205 Uani 1 1 d D . .
N1G N 0.5253(3) 0.0755(5) -0.1370(3) 0.131 Uani 1 1 d . . .
N2G N 0.52808(16) 0.0422(3) -0.10661(15) 0.118 Uani 1 1 d . . .
C1G C 0.52953(16) 0.1319(3) -0.20546(15) 0.154 Uani 1 1 d R . .
C2G C 0.53256(16) 0.1595(3) -0.23735(15) 0.153 Uani 1 1 d R . .
C3G C 0.55890(16) 0.1407(3) -0.25502(15) 0.207 Uani 1 1 d R . .
C4G C 0.58221(16) 0.0944(3) -0.24081(15) 0.184 Uani 1 1 d R . .
C5G C 0.57917(16) 0.0668(3) -0.20892(15) 0.164 Uani 1 1 d R . .
C6G C 0.55283(16) 0.0855(3) -0.19125(15) 0.157 Uani 1 1 d R . .
C7G C 0.5518(4) 0.0602(6) -0.1549(4) 0.132 Uani 1 1 d . . .
C8G C 0.4967(8) 0.0570(8) -0.0966(4) 0.205 Uani 1 1 d . . .
C9G C 0.4875(5) 0.0117(7) -0.0660(5) 0.171 Uani 1 1 d . . .
C10G C 0.47653(17) 0.0518(3) -0.03447(16) 0.205 Uani 1 1 d . . .
C11G C 0.50449(17) 0.0868(3) -0.01262(16) 0.220 Uiso 1 1 d R . .
C12G C 0.54410(17) 0.0995(3) -0.00846(16) 0.149 Uiso 1 1 d R . .
C13G C 0.56373(17) 0.1429(3) 0.01517(16) 0.199 Uiso 1 1 d R . .
C14G C 0.54375(17) 0.1734(3) 0.03464(16) 0.216 Uiso 1 1 d R . .
C15G C 0.50414(17) 0.1606(3) 0.03048(16) 0.180 Uiso 1 1 d R . .
C16G C 0.48451(17) 0.1173(3) 0.00686(16) 0.231 Uiso 1 1 d R . .
C17G C 0.47134(17) 0.0009(3) -0.00787(16) 0.170 Uiso 1 1 d R . .
C18G C 0.50279(17) -0.0308(3) 0.01651(16) 0.154 Uiso 1 1 d R . .
C19G C 0.49560(17) -0.0675(3) 0.04213(16) 0.206 Uiso 1 1 d R . .
C20G C 0.45694(17) -0.0726(3) 0.04337(16) 0.289 Uiso 1 1 d R . .
C21G C 0.42548(17) -0.0409(3) 0.01900(16) 0.287 Uiso 1 1 d R . .
C22G C 0.43268(17) -0.0042(3) -0.00662(16) 0.306 Uiso 1 1 d R . .
C23G C 0.4904(7) 0.2128(10) -0.0878(7) 0.260 Uiso 1 1 d D . .
C24G C 0.5111(6) 0.2594(9) -0.0646(6) 0.210 Uiso 1 1 d D . .
Mn1H Mn 0.58121(7) -0.01381(10) -0.09138(6) 0.138 Uani 1 1 d . . .
O1H O 0.5504(3) -0.0734(4) -0.1102(3) 0.157 Uani 1 1 d . . .
O2H O 0.5961(3) -0.0986(4) 0.0133(3) 0.150 Uani 1 1 d . . .
O3H O 0.6166(2) 0.0433(4) -0.0629(2) 0.135 Uani 1 1 d . . .
O4H O 0.6327(3) -0.0559(5) -0.0996(3) 0.177 Uani 1 1 d D . .
N1H N 0.5942(4) -0.0401(5) -0.0399(3) 0.139 Uani 1 1 d . . .
N2H N 0.62602(18) -0.0124(3) -0.00924(19) 0.146 Uani 1 1 d . . .
C1H C 0.53854(18) -0.1153(3) -0.08747(19) 0.167 Uani 1 1 d R . .
C2H C 0.50932(18) -0.1499(3) -0.11181(19) 0.158 Uani 1 1 d R . .
C3H C 0.49096(18) -0.1888(3) -0.09602(19) 0.180 Uani 1 1 d R . .
C4H C 0.50182(18) -0.1929(3) -0.05588(19) 0.277 Uani 1 1 d R . .
C5H C 0.53104(18) -0.1583(3) -0.03154(19) 0.232 Uani 1 1 d R . .
C6H C 0.54940(18) -0.1194(3) -0.04733(19) 0.197 Uani 1 1 d R . .
C7H C 0.5811(4) -0.0829(7) -0.0231(5) 0.147 Uani 1 1 d . . .
C8H C 0.6352(4) 0.0304(6) -0.0254(4) 0.129 Uani 1 1 d . . .
C9H C 0.6659(4) 0.0733(7) 0.0002(4) 0.161 Uani 1 1 d . . .
C10H C 0.6927(2) 0.0920(3) -0.0193(2) 0.148 Uani 1 1 d . . .
C11H C 0.7188(2) 0.0575(3) -0.0348(2) 0.198 Uiso 1 1 d R . .
C12H C 0.7137(2) 0.0534(3) -0.0739(2) 0.298 Uiso 1 1 d R . .
C13H C 0.7357(2) 0.0151(3) -0.0861(2) 0.310 Uiso 1 1 d R . .
C14H C 0.7628(2) -0.0191(3) -0.0590(2) 0.249 Uiso 1 1 d R . .
C15H C 0.7679(2) -0.0150(3) -0.0198(2) 0.246 Uiso 1 1 d R . .
C16H C 0.7459(2) 0.0233(3) -0.0077(2) 0.286 Uiso 1 1 d R . .
C17H C 0.7148(2) 0.1471(3) -0.0003(2) 0.184 Uiso 1 1 d R . .
C18H C 0.7096(2) 0.1981(3) -0.0181(2) 0.429 Uiso 1 1 d R . .
C19H C 0.7329(2) 0.2421(3) 0.0013(2) 0.354 Uiso 1 1 d R . .
C20H C 0.7614(2) 0.2352(3) 0.0384(2) 0.212 Uiso 1 1 d R . .
C21H C 0.7666(2) 0.1843(3) 0.0562(2) 0.324 Uiso 1 1 d R . .
C22H C 0.7433(2) 0.1402(3) 0.0369(2) 0.244 Uiso 1 1 d R . .
C23H C 0.6640(9) -0.0887(15) -0.0772(11) 0.416 Uiso 1 1 d D . .
C24H C 0.6613(14) -0.1335(16) -0.0524(12) 0.459 Uiso 1 1 d D . .
Mn1I Mn 0.64145(7) -0.05922(10) 0.04722(6) 0.137 Uani 1 1 d . . .
O1I O 0.6802(3) -0.1023(3) 0.0344(3) 0.138 Uani 1 1 d . . .
O2I O 0.7424(3) 0.0208(6) 0.1124(3) 0.184 Uani 1 1 d . . .
O3I O 0.6080(3) -0.0119(4) 0.0649(3) 0.143 Uani 1 1 d . . .
O4I O 0.6394(3) -0.1181(5) 0.0922(3) 0.173 Uani 1 1 d D . .
N1I N 0.6818(3) -0.0171(4) 0.0850(3) 0.118 Uani 1 1 d . . .
N2I N 0.6666(2) 0.0242(3) 0.1028(2) 0.156 Uani 1 1 d . . .
C1I C 0.7210(2) -0.0946(3) 0.0508(2) 0.219 Uani 1 1 d R . .
C2I C 0.7397(2) -0.1342(3) 0.0358(2) 0.287 Uani 1 1 d R . .
C3I C 0.7816(2) -0.1384(3) 0.0498(2) 0.313 Uani 1 1 d R . .
C4I C 0.8049(2) -0.1031(3) 0.0787(2) 0.433 Uiso 1 1 d R . .
C5I C 0.7862(2) -0.0636(3) 0.0937(2) 0.367 Uani 1 1 d R . .
C6I C 0.7443(2) -0.0594(3) 0.0797(2) 0.174 Uani 1 1 d R . .
C7I C 0.7205(5) -0.0094(8) 0.0905(4) 0.162 Uani 1 1 d . . .
C8I C 0.6312(4) 0.0249(6) 0.0938(4) 0.135 Uani 1 1 d . . .
C9I C 0.6081(5) 0.0603(7) 0.1071(4) 0.175 Uani 1 1 d . . .
C10I C 0.56937(16) 0.0376(2) 0.11220(15) 0.175 Uani 1 1 d . . .
C11I C 0.54676(16) 0.0838(2) 0.12603(15) 0.159 Uiso 1 1 d R . .
C12I C 0.56463(16) 0.1257(2) 0.15191(15) 0.184 Uiso 1 1 d R . .
C13I C 0.54093(16) 0.1676(2) 0.15784(15) 0.220 Uiso 1 1 d R . .
C14I C 0.49936(16) 0.1675(2) 0.13789(15) 0.200 Uiso 1 1 d R . .
C15I C 0.48149(16) 0.1256(2) 0.11201(15) 0.222 Uiso 1 1 d R . .
C16I C 0.50519(16) 0.0837(2) 0.10608(15) 0.248 Uiso 1 1 d R . .
C17I C 0.58213(16) -0.0029(2) 0.14841(15) 0.141 Uiso 1 1 d R . .
C18I C 0.62127(16) -0.0074(2) 0.17532(15) 0.154 Uiso 1 1 d R . .
C19I C 0.62989(16) -0.0454(2) 0.20531(15) 0.149 Uiso 1 1 d R . .
C20I C 0.59938(16) -0.0787(2) 0.20840(15) 0.160 Uiso 1 1 d R . .
C21I C 0.56025(16) -0.0741(2) 0.18149(15) 0.218 Uiso 1 1 d R . .
C22I C 0.55162(16) -0.0362(2) 0.15150(15) 0.200 Uiso 1 1 d R . .
C23I C 0.6018(6) -0.1241(9) 0.0960(6) 0.223 Uiso 1 1 d D . .
C24I C 0.5917(7) -0.1823(10) 0.0900(7) 0.251 Uiso 1 1 d D . .
Mn1J Mn 0.71901(9) 0.07260(12) 0.14273(8) 0.170 Uani 1 1 d . . .
O1J O 0.7015(4) 0.1360(5) 0.1107(4) 0.240 Uani 1 1 d . . .
O2J O 0.6856(4) 0.1668(6) 0.2282(5) 0.237 Uani 1 1 d . . .
O3J O 0.7320(3) 0.0165(4) 0.1829(3) 0.150 Uani 1 1 d . . .
O4J O 0.7794(4) 0.1156(6) 0.1700(4) 0.216 Uani 1 1 d D . .
N1J N 0.7034(4) 0.1093(6) 0.1835(4) 0.167 Uani 1 1 d . . .
N2J N 0.7175(3) 0.0766(4) 0.2190(3) 0.179 Uani 1 1 d . . .
C1J C 0.6843(3) 0.1833(4) 0.1128(3) 0.785 Uani 1 1 d R . .
C2J C 0.6560(3) 0.1826(4) 0.0752(3) 0.600 Uani 1 1 d R . .
C3J C 0.6190(3) 0.2086(4) 0.0669(3) 1.565 Uani 1 1 d R . .
C4J C 0.6102(3) 0.2354(4) 0.0962(3) 0.793 Uani 1 1 d R . .
C5J C 0.6384(3) 0.2361(4) 0.1339(3) 0.508 Uani 1 1 d R . .
C6J C 0.6754(3) 0.2101(4) 0.1422(3) 0.376 Uani 1 1 d R . .
C7J C 0.6775(6) 0.1704(7) 0.1837(8) 0.254 Uani 1 1 d . . .
C8J C 0.7282(5) 0.0307(8) 0.2160(9) 0.218 Uani 1 1 d . . .
C9J C 0.7451(7) 0.0052(9) 0.2543(7) 0.232 Uani 1 1 d . . .
C10J C 0.7729(2) -0.0547(4) 0.2461(3) 0.304 Uani 1 1 d . . .
C11J C 0.8094(2) -0.0198(4) 0.2435(3) 0.213 Uiso 1 1 d R . .
C12J C 0.8194(2) -0.0422(4) 0.2133(3) 0.278 Uiso 1 1 d R . .
C13J C 0.8565(2) -0.0303(4) 0.2102(3) 0.262 Uiso 1 1 d R . .
C14J C 0.8837(2) 0.0038(4) 0.2372(3) 0.209 Uiso 1 1 d R . .
C15J C 0.8737(2) 0.0262(4) 0.2674(3) 0.233 Uiso 1 1 d R . .
C16J C 0.8366(2) 0.0144(4) 0.2705(3) 0.308 Uiso 1 1 d R . .
C17J C 0.7888(2) -0.0799(4) 0.2878(3) 0.371 Uiso 1 1 d R . .
C18J C 0.7901(2) -0.1357(4) 0.2812(3) 0.295 Uiso 1 1 d R . .
C19J C 0.7972(2) -0.1723(4) 0.3118(3) 0.360 Uiso 1 1 d R . .
C20J C 0.8030(2) -0.1531(4) 0.3490(3) 0.619 Uiso 1 1 d R . .
C21J C 0.8018(2) -0.0974(4) 0.3556(3) 0.817 Uiso 1 1 d R . .
C22J C 0.7947(2) -0.0607(4) 0.3250(3) 0.406 Uiso 1 1 d R . .
C23J C 0.8157(7) 0.0910(12) 0.1736(7) 0.304 Uiso 1 1 d D . .
C24J C 0.8297(5) 0.1010(8) 0.1402(5) 0.188 Uiso 1 1 d D . .
Mn1K Mn 0.70508(12) 0.13670(14) 0.26330(11) 0.208 Uani 1 1 d . . .
O1K O 0.7620(4) 0.1634(6) 0.2844(4) 0.235 Uani 1 1 d . . .
O2K O 0.7569(3) 0.0439(7) 0.3635(4) 0.234 Uani 1 1 d . . .
O3K O 0.6520(3) 0.1032(4) 0.2533(3) 0.154 Uani 1 1 d . . .
O4K O 0.6871(5) 0.2076(6) 0.2892(5) 0.248 Uani 1 1 d D . .
N1K N 0.7217(4) 0.0911(7) 0.3126(4) 0.182 Uani 1 1 d . . .
N2K N 0.6856(2) 0.0673(4) 0.3115(3) 0.171 Uani 1 1 d . . .
C1K C 0.8006(2) 0.1457(4) 0.3122(3) 0.429 Uani 1 1 d R . .
C2K C 0.8406(2) 0.1618(4) 0.3217(3) 0.510 Uani 1 1 d R . .
C3K C 0.8709(2) 0.1366(4) 0.3523(3) 1.234 Uani 1 1 d R . .
C4K C 0.8611(2) 0.0954(4) 0.3734(3) 1.093 Uani 1 1 d R . .
C5K C 0.8211(2) 0.0793(4) 0.3639(3) 0.381 Uani 1 1 d R . .
C6K C 0.7908(2) 0.1045(4) 0.3333(3) 0.268 Uani 1 1 d R . .
C7K C 0.7571(7) 0.0785(13) 0.3388(6) 0.253 Uani 1 1 d . . .
C8K C 0.6529(5) 0.0738(6) 0.2822(4) 0.137 Uani 1 1 d . . .
C9K C 0.6167(4) 0.0398(6) 0.2828(5) 0.151 Uani 1 1 d . . .
C10K C 0.57601(15) 0.0746(2) 0.25691(15) 0.143 Uani 1 1 d . . .
C11K C 0.56991(15) 0.1225(2) 0.28268(15) 0.155 Uiso 1 1 d R . .
C12K C 0.59414(15) 0.1388(2) 0.31990(15) 0.185 Uiso 1 1 d R . .
C13K C 0.58660(15) 0.1881(2) 0.33480(15) 0.169 Uiso 1 1 d R . .
C14K C 0.55483(15) 0.2211(2) 0.31248(15) 0.188 Uiso 1 1 d R . .
C15K C 0.53059(15) 0.2048(2) 0.27525(15) 0.274 Uiso 1 1 d R . .
C16K C 0.53813(15) 0.1555(2) 0.26035(15) 0.256 Uiso 1 1 d R . .
C17K C 0.53991(15) 0.0366(2) 0.25066(15) 0.150 Uiso 1 1 d R . .
C18K C 0.53416(15) 0.0073(2) 0.28066(15) 0.150 Uiso 1 1 d R . .
C19K C 0.49950(15) -0.0241(2) 0.27334(15) 0.131 Uiso 1 1 d R . .
C20K C 0.47059(15) -0.0262(2) 0.23602(15) 0.171 Uiso 1 1 d R . .
C21K C 0.47634(15) 0.0031(2) 0.20602(15) 0.245 Uiso 1 1 d R . .
C22K C 0.51100(15) 0.0345(2) 0.21333(15) 0.148 Uiso 1 1 d R . .
C23K C 0.6502(7) 0.2262(11) 0.2587(7) 0.254 Uiso 1 1 d D . .
Mn1L Mn 0.70661(7) 0.02175(16) 0.36965(8) 0.197 Uani 1 1 d . . .
O1L O 0.7051(3) -0.0443(5) 0.3447(3) 0.179 Uani 1 1 d . . .
O2L O 0.6098(2) -0.0487(3) 0.3882(2) 0.121 Uani 1 1 d . . .
O3L O 0.7028(3) 0.0839(5) 0.4000(3) 0.176 Uani 1 1 d . . .
O4L O 0.7499(4) -0.0193(10) 0.4263(5) 0.357 Uani 1 1 d D . .
N1L N 0.6623(3) 0.0032(5) 0.3849(3) 0.143 Uani 1 1 d . . .
N2L N 0.65159(19) 0.0382(3) 0.40785(15) 0.124 Uani 1 1 d . . .
C1L C 0.67770(19) -0.0830(3) 0.33316(15) 0.184 Uani 1 1 d R . .
C2L C 0.67869(19) -0.1252(3) 0.30829(15) 0.181 Uani 1 1 d R . .
C3L C 0.64849(19) -0.1647(3) 0.29800(15) 0.171 Uani 1 1 d R . .
C4L C 0.61729(19) -0.1620(3) 0.31259(15) 0.227 Uani 1 1 d R . .
C5L C 0.61630(19) -0.1197(3) 0.33747(15) 0.185 Uani 1 1 d R . .
C6L C 0.64650(19) -0.0802(3) 0.34776(15) 0.214 Uani 1 1 d R . .
C7L C 0.6381(5) -0.0375(7) 0.3728(3) 0.145 Uani 1 1 d . . .
C8L C 0.6739(4) 0.0777(7) 0.4150(4) 0.147 Uani 1 1 d . . .
C9L C 0.6713(5) 0.1303(7) 0.4416(4) 0.155 Uani 1 1 d . . .
C10L C 0.70839(15) 0.1566(3) 0.46249(14) 0.149 Uani 1 1 d . . .
C11L C 0.73985(15) 0.1275(3) 0.49618(14) 0.153 Uiso 1 1 d R . .
C12L C 0.73147(15) 0.0757(3) 0.50683(14) 0.190 Uiso 1 1 d R . .
C13L C 0.76226(15) 0.0445(3) 0.53254(14) 0.213 Uiso 1 1 d R . .
C14L C 0.80142(15) 0.0650(3) 0.54760(14) 0.289 Uiso 1 1 d R . .
C15L C 0.80979(15) 0.1168(3) 0.53695(14) 0.409 Uiso 1 1 d R . .
C16L C 0.77901(15) 0.1480(3) 0.51125(14) 0.264 Uiso 1 1 d R . .
C17L C 0.69489(15) 0.2113(3) 0.47862(14) 0.155 Uiso 1 1 d R . .
C18L C 0.70699(15) 0.2614(3) 0.46871(14) 0.196 Uiso 1 1 d R . .
C19L C 0.69833(15) 0.3092(3) 0.48453(14) 0.310 Uiso 1 1 d R . .
C20L C 0.67758(15) 0.3070(3) 0.51026(14) 0.178 Uiso 1 1 d R . .
C21L C 0.66548(15) 0.2569(3) 0.52017(14) 0.153 Uiso 1 1 d R . .
C22L C 0.67414(15) 0.2090(3) 0.50435(14) 0.147 Uiso 1 1 d R . .
C23L C 0.727(2) -0.0145(15) 0.450(2) 0.730 Uiso 1 1 d D . .
C24L C 0.7135(8) -0.0664(12) 0.4604(8) 0.281 Uiso 1 1 d D . .
Mn1M Mn 0.60066(6) 0.00314(8) 0.42519(6) 0.112 Uani 1 1 d . . .
O1M O 0.6348(2) -0.0331(3) 0.4690(2) 0.120 Uani 1 1 d . . .
O2M O 0.5982(2) 0.1144(3) 0.50902(19) 0.100 Uani 1 1 d . . .
O3M O 0.5595(2) 0.0456(3) 0.3844(2) 0.115 Uani 1 1 d . . .
O4M O 0.5502(2) -0.0550(3) 0.4207(2) 0.122 Uani 1 1 d D . .
N1M N 0.5903(3) 0.0596(4) 0.4585(3) 0.117 Uani 1 1 d . . .
N2M N 0.55837(15) 0.0941(2) 0.43636(17) 0.101 Uani 1 1 d . . .
C1M C 0.64836(15) -0.0192(2) 0.50685(17) 0.128 Uani 1 1 d R . .
C2M C 0.67613(15) -0.0543(2) 0.53243(17) 0.146 Uani 1 1 d R . .
C3M C 0.69493(15) -0.0397(2) 0.57126(17) 0.145 Uani 1 1 d R . .
C4M C 0.68597(15) 0.0100(2) 0.58451(17) 0.225 Uani 1 1 d R . .
C5M C 0.65821(15) 0.0452(2) 0.55893(17) 0.154 Uani 1 1 d R . .
C6M C 0.63940(15) 0.0306(2) 0.52010(17) 0.127 Uani 1 1 d R . .
C7M C 0.6081(4) 0.0712(6) 0.4951(4) 0.116 Uani 1 1 d . . .
C8M C 0.5459(4) 0.0863(5) 0.4000(4) 0.115 Uani 1 1 d . . .
C9M C 0.5125(4) 0.1263(5) 0.3702(4) 0.118 Uani 1 1 d . . .
C10M C 0.48122(12) 0.09182(18) 0.33682(12) 0.104 Uani 1 1 d . . .
C11M C 0.45693(12) 0.05163(18) 0.35194(12) 0.107 Uiso 1 1 d R . .
C12M C 0.45771(12) 0.04645(18) 0.38985(12) 0.109 Uiso 1 1 d R . .
C13M C 0.43278(12) 0.00862(18) 0.39840(12) 0.117 Uiso 1 1 d R . .
C14M C 0.40706(12) -0.02402(18) 0.36904(12) 0.115 Uiso 1 1 d R . .
C15M C 0.40627(12) -0.01884(18) 0.33113(12) 0.119 Uiso 1 1 d R . .
C16M C 0.43121(12) 0.01899(18) 0.32258(12) 0.133 Uiso 1 1 d R . .
C17M C 0.45944(12) 0.13475(18) 0.31070(12) 0.120 Uiso 1 1 d R . .
C18M C 0.44141(12) 0.17913(18) 0.32163(12) 0.148 Uiso 1 1 d R . .
C19M C 0.41815(12) 0.21564(18) 0.29364(12) 0.223 Uiso 1 1 d R . .
C20M C 0.41292(12) 0.20775(18) 0.25470(12) 0.182 Uiso 1 1 d R . .
C21M C 0.43094(12) 0.16337(18) 0.24377(12) 0.188 Uiso 1 1 d R . .
C22M C 0.45420(12) 0.12686(18) 0.27176(12) 0.154 Uiso 1 1 d R . .
C23M C 0.5180(4) -0.0709(6) 0.3850(4) 0.129 Uiso 1 1 d D . .
C24M C 0.5010(6) -0.1234(8) 0.3871(6) 0.218 Uiso 1 1 d D . .
Mn1N Mn 0.55095(5) 0.15858(8) 0.47712(5) 0.104 Uani 1 1 d . . .
O1N O 0.5784(2) 0.2131(3) 0.4578(2) 0.115 Uani 1 1 d . . .
O2N O 0.4563(2) 0.2632(3) 0.41795(18) 0.094 Uani 1 1 d . . .
O3N O 0.5142(2) 0.1126(3) 0.4913(2) 0.102 Uani 1 1 d . . .
O4N O 0.5626(2) 0.2070(3) 0.5325(2) 0.117 Uani 1 1 d D . .
N1N N 0.5012(2) 0.1959(3) 0.4523(3) 0.090 Uani 1 1 d . . .
N2N N 0.46692(14) 0.17802(19) 0.46072(14) 0.097 Uani 1 1 d . . .
C1N C 0.56432(14) 0.25086(19) 0.43350(14) 0.104 Uani 1 1 d R . .
C2N C 0.59332(14) 0.27637(19) 0.42198(14) 0.110 Uani 1 1 d R . .
C3N C 0.58224(14) 0.31890(19) 0.39520(14) 0.120 Uani 1 1 d R . .
C4N C 0.54216(14) 0.33592(19) 0.37995(14) 0.155 Uani 1 1 d R . .
C5N C 0.51316(14) 0.31041(19) 0.39148(14) 0.108 Uani 1 1 d R . .
C6N C 0.52424(14) 0.26788(19) 0.41825(14) 0.113 Uani 1 1 d R . .
C7N C 0.4947(3) 0.2400(5) 0.4317(3) 0.088 Uani 1 1 d . . .
C8N C 0.4767(3) 0.1319(4) 0.4792(3) 0.086 Uani 1 1 d . . .
C9N C 0.4463(3) 0.0986(4) 0.4897(3) 0.091 Uani 1 1 d . . .
C10N C 0.46440(10) 0.07266(17) 0.53010(9) 0.101 Uani 1 1 d . . .
C11N C 0.43491(10) 0.02832(17) 0.53704(9) 0.099 Uiso 1 1 d R . .
C12N C 0.39574(10) 0.04160(17) 0.53414(9) 0.104 Uiso 1 1 d R . .
C13N C 0.36985(10) 0.00111(17) 0.53792(9) 0.096 Uiso 1 1 d R . .
C14N C 0.38312(10) -0.05266(17) 0.54461(9) 0.109 Uiso 1 1 d R . .
C15N C 0.42229(10) -0.06595(17) 0.54751(9) 0.109 Uiso 1 1 d R . .
C16N C 0.44819(10) -0.02546(17) 0.54372(9) 0.110 Uiso 1 1 d R . .
C17N C 0.47558(10) 0.11607(17) 0.56390(9) 0.093 Uiso 1 1 d R . .
C18N C 0.50151(10) 0.09781(17) 0.59995(9) 0.155 Uiso 1 1 d R . .
C19N C 0.51595(10) 0.13413(17) 0.63089(9) 0.134 Uiso 1 1 d R . .
C20N C 0.50448(10) 0.18871(17) 0.62578(9) 0.134 Uiso 1 1 d R . .
C21N C 0.47856(10) 0.20698(17) 0.58973(9) 0.152 Uiso 1 1 d R . .
C22N C 0.46411(10) 0.17066(17) 0.55879(9) 0.166 Uiso 1 1 d R . .
C23N C 0.5778(4) 0.1847(5) 0.5695(3) 0.117 Uiso 1 1 d D . .
C24N C 0.5950(6) 0.2276(8) 0.6007(5) 0.210 Uiso 1 1 d D . .
Mn1O Mn 0.41280(5) 0.23235(7) 0.43285(5) 0.092 Uani 1 1 d . . .
O1O O 0.42517(18) 0.2748(3) 0.4792(2) 0.093 Uani 1 1 d . . .
O2O O 0.34171(18) 0.1561(3) 0.48385(18) 0.089 Uani 1 1 d . . .
O3O O 0.3929(2) 0.1817(3) 0.38767(19) 0.098 Uani 1 1 d . . .
O4O O 0.3795(2) 0.3012(3) 0.39542(19) 0.096 Uani 1 1 d D . .
N1O N 0.3699(2) 0.1936(4) 0.4432(3) 0.099 Uani 1 1 d . . .
N2O N 0.34964(13) 0.15250(17) 0.41792(13) 0.097 Uani 1 1 d . . .
C1O C 0.40328(13) 0.27817(17) 0.50346(13) 0.105 Uani 1 1 d R . .
C2O C 0.41161(13) 0.32338(17) 0.52792(13) 0.113 Uani 1 1 d R . .
C3O C 0.39250(13) 0.32942(17) 0.55481(13) 0.106 Uani 1 1 d R . .
C4O C 0.36506(13) 0.29025(17) 0.55723(13) 0.104 Uani 1 1 d R . .
C5O C 0.35672(13) 0.24504(17) 0.53277(13) 0.119 Uani 1 1 d R . .
C6O C 0.37583(13) 0.23900(17) 0.50589(13) 0.091 Uani 1 1 d R . .
C7O C 0.3629(3) 0.1970(4) 0.4778(4) 0.092 Uani 1 1 d . . .
C8O C 0.3642(4) 0.1490(5) 0.3901(3) 0.108 Uani 1 1 d . . .
C9O C 0.3479(5) 0.1086(5) 0.3602(4) 0.148 Uani 1 1 d . . .
C10O C 0.34012(15) 0.1280(2) 0.31793(14) 0.115 Uani 1 1 d . . .
C11O C 0.32524(15) 0.0828(2) 0.28916(14) 0.141 Uiso 1 1 d R . .
C12O C 0.29455(15) 0.0479(2) 0.28993(14) 0.169 Uiso 1 1 d R . .
C13O C 0.28349(15) 0.0038(2) 0.26457(14) 0.186 Uiso 1 1 d R . .
C14O C 0.30313(15) -0.0055(2) 0.23844(14) 0.215 Uiso 1 1 d R . .
C15O C 0.33382(15) 0.0294(2) 0.23767(14) 0.173 Uiso 1 1 d R . .
C16O C 0.34488(15) 0.0736(2) 0.26303(14) 0.205 Uiso 1 1 d R . .
C17O C 0.30840(15) 0.1771(2) 0.30841(14) 0.146 Uiso 1 1 d R . .
C18O C 0.31075(15) 0.2136(2) 0.28034(14) 0.241 Uiso 1 1 d R . .
C19O C 0.28346(15) 0.2566(2) 0.26856(14) 0.432 Uiso 1 1 d R . .
C20O C 0.25381(15) 0.2631(2) 0.28485(14) 0.172 Uiso 1 1 d R . .
C21O C 0.25146(15) 0.2266(2) 0.31292(14) 0.145 Uiso 1 1 d R . .
C22O C 0.27875(15) 0.1836(2) 0.32470(14) 0.136 Uiso 1 1 d R . .
C23O C 0.3392(4) 0.3033(7) 0.3728(4) 0.154 Uiso 1 1 d D . .
C24O C 0.3145(5) 0.3077(8) 0.3982(5) 0.187 Uiso 1 1 d D . .
Mn1P Mn 0.30701(5) 0.11073(7) 0.43875(5) 0.099 Uani 1 1 d . . .
O1P O 0.33711(19) 0.0472(3) 0.4452(2) 0.097 Uani 1 1 d . . .
O2P O 0.2228(3) 0.0148(4) 0.3598(3) 0.161 Uani 1 1 d . . .
O3P O 0.2692(2) 0.1725(3) 0.4238(2) 0.106 Uani 1 1 d . . .
O4P O 0.2773(2) 0.0788(3) 0.4817(2) 0.122 Uani 1 1 d D . .
N1P N 0.2621(2) 0.0778(4) 0.3963(2) 0.083 Uani 1 1 d . . .
N2P N 0.22751(15) 0.1092(2) 0.38083(14) 0.116 Uani 1 1 d . . .
C1P C 0.32675(15) -0.0019(2) 0.42792(14) 0.091 Uani 1 1 d R . .
C2P C 0.35472(15) -0.0441(2) 0.44001(14) 0.112 Uani 1 1 d R . .
C3P C 0.34631(15) -0.0946(2) 0.42150(14) 0.120 Uani 1 1 d R . .
C4P C 0.30992(15) -0.1028(2) 0.39089(14) 0.175 Uani 1 1 d R . .
C5P C 0.28194(15) -0.0606(2) 0.37880(14) 0.148 Uani 1 1 d R . .
C6P C 0.29036(15) -0.0101(2) 0.39732(14) 0.102 Uani 1 1 d R . .
C7P C 0.2584(3) 0.0256(6) 0.3848(3) 0.107 Uani 1 1 d . . .
C8P C 0.2353(3) 0.1580(7) 0.3962(3) 0.136 Uani 1 1 d . . .
C9P C 0.2049(4) 0.2048(5) 0.3850(5) 0.140 Uani 1 1 d . . .
C10P C 0.21516(16) 0.2529(2) 0.41568(15) 0.138 Uani 1 1 d . . .
C11P C 0.18936(16) 0.3055(2) 0.39926(15) 0.133 Uiso 1 1 d R . .
C12P C 0.14887(16) 0.3028(2) 0.37535(15) 0.146 Uiso 1 1 d R . .
C13P C 0.12747(16) 0.3504(2) 0.36073(15) 0.184 Uiso 1 1 d R . .
C14P C 0.14657(16) 0.4008(2) 0.37001(15) 0.166 Uiso 1 1 d R . .
C15P C 0.18706(16) 0.4036(2) 0.39391(15) 0.197 Uiso 1 1 d R . .
C16P C 0.20846(16) 0.3560(2) 0.40854(15) 0.172 Uiso 1 1 d R . .
C17P C 0.21095(16) 0.2400(2) 0.45072(15) 0.132 Uiso 1 1 d R . .
C18P C 0.17644(16) 0.2160(2) 0.45341(15) 0.212 Uiso 1 1 d R . .
C19P C 0.17450(16) 0.2044(2) 0.48971(15) 0.321 Uiso 1 1 d R . .
C20P C 0.20707(16) 0.2168(2) 0.52331(15) 0.233 Uiso 1 1 d R . .
C21P C 0.24157(16) 0.2408(2) 0.52062(15) 0.227 Uiso 1 1 d R . .
C22P C 0.24352(16) 0.2524(2) 0.48432(15) 0.158 Uiso 1 1 d R . .
C23P C 0.2632(4) 0.1140(6) 0.5067(4) 0.138 Uiso 1 1 d D . .
C24P C 0.2698(6) 0.0822(8) 0.5431(5) 0.213 Uiso 1 1 d D . .
Mn1Q Mn 0.17640(6) 0.06236(10) 0.34044(6) 0.139 Uani 1 1 d . . .
O1Q O 0.1561(3) 0.0434(4) 0.3809(3) 0.162 Uani 1 1 d . . .
O2Q O 0.0897(3) 0.1815(4) 0.3192(3) 0.146 Uani 1 1 d . . .
O3Q O 0.1908(2) 0.0868(3) 0.2978(2) 0.114 Uani 1 1 d . . .
O4Q O 0.1447(3) -0.0124(5) 0.3062(3) 0.186 Uani 1 1 d D . .
N1Q N 0.1357(3) 0.1172(5) 0.3201(3) 0.133 Uani 1 1 d . . .
N2Q N 0.1380(2) 0.1479(3) 0.2847(2) 0.122 Uani 1 1 d . . .
C1Q C 0.1296(2) 0.0686(3) 0.3938(2) 0.218 Uani 1 1 d R . .
C2Q C 0.1231(2) 0.0519(3) 0.4272(2) 0.283 Uani 1 1 d R . .
C3Q C 0.0913(2) 0.0739(3) 0.4363(2) 0.365 Uani 1 1 d R . .
C4Q C 0.0660(2) 0.1126(3) 0.4119(2) 0.430 Uani 1 1 d R . .
C5Q C 0.0725(2) 0.1293(3) 0.3785(2) 0.424 Uani 1 1 d R . .
C6Q C 0.1043(2) 0.1073(3) 0.3694(2) 0.231 Uani 1 1 d R . .
C7Q C 0.1102(4) 0.1405(9) 0.3347(4) 0.162 Uani 1 1 d . . .
C8Q C 0.1677(4) 0.1249(6) 0.2790(4) 0.121 Uani 1 1 d . . .
C9Q C 0.1710(4) 0.1561(5) 0.2436(3) 0.112 Uani 1 1 d . . .
C10Q C 0.19164(17) 0.1167(2) 0.22009(15) 0.168 Uani 1 1 d . . .
C11Q C 0.20433(17) 0.1501(2) 0.19280(15) 0.142 Uiso 1 1 d R . .
C12Q C 0.17444(17) 0.1791(2) 0.16429(15) 0.178 Uiso 1 1 d R . .
C13Q C 0.18401(17) 0.2081(2) 0.13625(15) 0.190 Uiso 1 1 d R . .
C14Q C 0.22346(17) 0.2081(2) 0.13671(15) 0.266 Uiso 1 1 d R . .
C15Q C 0.25336(17) 0.1791(2) 0.16521(15) 0.264 Uiso 1 1 d R . .
C16Q C 0.24379(17) 0.1501(2) 0.19326(15) 0.189 Uiso 1 1 d R . .
C17Q C 0.16047(17) 0.0722(2) 0.19980(15) 0.177 Uiso 1 1 d R . .
C18Q C 0.17792(17) 0.0240(2) 0.19351(15) 0.186 Uiso 1 1 d R . .
C19Q C 0.15351(17) -0.0194(2) 0.17451(15) 0.238 Uiso 1 1 d R . .
C20Q C 0.11166(17) -0.0146(2) 0.16181(15) 0.234 Uiso 1 1 d R . .
C21Q C 0.09421(17) 0.0337(2) 0.16810(15) 0.196 Uiso 1 1 d R . .
C22Q C 0.11862(17) 0.0771(2) 0.18710(15) 0.144 Uiso 1 1 d R . .
C23Q C 0.1165(10) -0.0135(16) 0.2674(7) 0.398 Uiso 1 1 d D . .
C24Q C 0.0794(9) 0.0204(16) 0.2612(10) 0.367 Uiso 1 1 d D . .
Mn1R Mn 0.08936(7) 0.20722(10) 0.26941(6) 0.138 Uani 1 1 d . . .
O1R O 0.1314(3) 0.2650(4) 0.2885(3) 0.166 Uani 1 1 d . . .
O2R O 0.0831(3) 0.2749(4) 0.1675(3) 0.156 Uani 1 1 d . . .
O3R O 0.0519(3) 0.1489(4) 0.2427(3) 0.154 Uani 1 1 d . . .
O4R O 0.0385(5) 0.2639(5) 0.2719(3) 0.216 Uani 1 1 d D . .
N1R N 0.0780(3) 0.2250(4) 0.2130(3) 0.111 Uani 1 1 d . . .
N2R N 0.04709(18) 0.1942(3) 0.18787(19) 0.116 Uani 1 1 d . . .
C1R C 0.14000(18) 0.3015(3) 0.26723(19) 0.183 Uani 1 1 d R . .
C2R C 0.16960(18) 0.3366(3) 0.29062(19) 0.170 Uani 1 1 d R . .
C3R C 0.18632(18) 0.3761(3) 0.27373(19) 0.302 Uani 1 1 d R . .
C4R C 0.17345(18) 0.3805(3) 0.23345(19) 0.228 Uani 1 1 d R . .
C5R C 0.14386(18) 0.3454(3) 0.21006(19) 0.174 Uani 1 1 d R . .
C6R C 0.12714(18) 0.3059(3) 0.22695(19) 0.152 Uani 1 1 d R . .
C7R C 0.0962(6) 0.2672(7) 0.2048(4) 0.165 Uani 1 1 d . . .
C8R C 0.0364(4) 0.1540(7) 0.2014(4) 0.129 Uani 1 1 d . . .
C9R C 0.0050(4) 0.1175(6) 0.1791(4) 0.132 Uani 1 1 d . . .
C10R C -0.01181(15) 0.0854(2) 0.20922(16) 0.127 Uani 1 1 d . . .
C11R C -0.03533(15) 0.1220(2) 0.22299(16) 0.130 Uiso 1 1 d R . .
C12R C -0.02533(15) 0.1202(2) 0.26311(16) 0.216 Uiso 1 1 d R . .
C13R C -0.04649(15) 0.1520(2) 0.28071(16) 0.205 Uiso 1 1 d R . .
C14R C -0.07765(15) 0.1858(2) 0.25818(16) 0.221 Uiso 1 1 d R . .
C15R C -0.08765(15) 0.1876(2) 0.21805(16) 0.232 Uiso 1 1 d R . .
C16R C -0.06649(15) 0.1558(2) 0.20046(16) 0.160 Uiso 1 1 d R . .
C17R C -0.04011(15) 0.0371(2) 0.18267(16) 0.150 Uiso 1 1 d R . .
C18R C -0.06732(15) 0.0487(2) 0.14558(16) 0.154 Uiso 1 1 d R . .
C19R C -0.09099(15) 0.0072(2) 0.12281(16) 0.237 Uiso 1 1 d R . .
C20R C -0.08744(15) -0.0458(2) 0.13713(16) 0.212 Uiso 1 1 d R . .
C21R C -0.06022(15) -0.0574(2) 0.17422(16) 0.232 Uiso 1 1 d R . .
C22R C -0.03656(15) -0.0159(2) 0.19699(16) 0.199 Uiso 1 1 d R . .
C23R C 0.0252(12) 0.3181(11) 0.2630(12) 0.399 Uiso 1 1 d D . .
C24R C 0.0337(14) 0.3641(14) 0.2436(13) 0.444 Uiso 1 1 d D . .
Mn1S Mn 0.03610(8) 0.23469(10) 0.12905(6) 0.146 Uani 1 1 d . . .
O1S O -0.0036(3) 0.2819(4) 0.1386(3) 0.150 Uani 1 1 d . . .
O2S O -0.0717(3) 0.1539(4) 0.0669(3) 0.139 Uani 1 1 d . . .
O3S O 0.0660(3) 0.1782(4) 0.1125(3) 0.145 Uani 1 1 d . . .
O4S O 0.0401(4) 0.2867(5) 0.0825(3) 0.199 Uani 1 1 d D . .
N1S N -0.0077(3) 0.1912(5) 0.0956(3) 0.132 Uani 1 1 d . . .
N2S N 0.00452(19) 0.1488(3) 0.07558(16) 0.132 Uani 1 1 d . . .
C1S C -0.04288(19) 0.2761(3) 0.13239(16) 0.178 Uani 1 1 d R . .
C2S C -0.06310(19) 0.3101(3) 0.14970(16) 0.193 Uani 1 1 d R . .
C3S C -0.10369(19) 0.3010(3) 0.14356(16) 0.203 Uani 1 1 d R . .
C4S C -0.12407(19) 0.2579(3) 0.12010(16) 0.235 Uani 1 1 d R . .
C5S C -0.10385(19) 0.2240(3) 0.10278(16) 0.164 Uani 1 1 d R . .
C6S C -0.06325(19) 0.2331(3) 0.10893(16) 0.139 Uani 1 1 d R . .
C7S C -0.0492(4) 0.1894(7) 0.0883(4) 0.144 Uani 1 1 d . . .
C8S C 0.0443(3) 0.1469(6) 0.0869(3) 0.115 Uani 1 1 d . . .
C9S C 0.0637(4) 0.0950(7) 0.0736(5) 0.159 Uani 1 1 d . . .
C10S C 0.10081(16) 0.1137(2) 0.06502(17) 0.168 Uani 1 1 d . . .
C11S C 0.09603(16) 0.1560(2) 0.03521(17) 0.140 Uiso 1 1 d R . .
C12S C 0.05779(16) 0.1678(2) 0.00851(17) 0.127 Uiso 1 1 d R . .
C13S C 0.05315(16) 0.2077(2) -0.01966(17) 0.185 Uiso 1 1 d R . .
C14S C 0.08675(16) 0.2357(2) -0.02113(17) 0.191 Uiso 1 1 d R . .
C15S C 0.12499(16) 0.2239(2) 0.00557(17) 0.168 Uiso 1 1 d R . .
C16S C 0.12963(16) 0.1840(2) 0.03374(17) 0.185 Uiso 1 1 d R . .
C17S C 0.10974(16) 0.0587(2) 0.05168(17) 0.216 Uiso 1 1 d R . .
C18S C 0.09311(16) 0.0331(2) 0.01574(17) 0.199 Uiso 1 1 d R . .
C19S C 0.10594(16) -0.0190(2) 0.01036(17) 0.269 Uiso 1 1 d R . .
C20S C 0.13541(16) -0.0454(2) 0.04091(17) 0.217 Uiso 1 1 d R . .
C21S C 0.15204(16) -0.0197(2) 0.07685(17) 0.294 Uiso 1 1 d R . .
C22S C 0.13921(16) 0.0323(2) 0.08223(17) 0.233 Uiso 1 1 d R . .
C23S C 0.0752(6) 0.3004(10) 0.0738(7) 0.229 Uiso 1 1 d D . .
C24S C 0.0572(10) 0.3420(13) 0.0423(9) 0.358 Uiso 1 1 d D . .
Mn1T Mn -0.05036(6) 0.10565(9) 0.03511(6) 0.125 Uani 1 1 d . . .
O1T O -0.0360(3) 0.0464(4) 0.0685(3) 0.158 Uani 1 1 d . . .
O2T O -0.0201(3) -0.0056(4) -0.0352(3) 0.151 Uani 1 1 d . . .
O3T O -0.0606(2) 0.1625(4) -0.0060(3) 0.133 Uani 1 1 d . . .
O4T O -0.1129(2) 0.0778(4) 0.0113(2) 0.132 Uani 1 1 d D . .
N1T N -0.0365(3) 0.0672(5) -0.0048(3) 0.107 Uani 1 1 d . . .
N2T N -0.04783(16) 0.0927(3) -0.04080(16) 0.139 Uani 1 1 d . . .
C1T C -0.01572(16) 0.0001(3) 0.06456(16) 0.140 Uani 1 1 d R . .
C2T C 0.00017(16) -0.0286(3) 0.09929(16) 0.149 Uani 1 1 d R . .
C3T C 0.02393(16) -0.0746(3) 0.10139(16) 0.194 Uani 1 1 d R . .
C4T C 0.03179(16) -0.0918(3) 0.06875(16) 0.158 Uani 1 1 d R . .
C5T C 0.01589(16) -0.0630(3) 0.03402(16) 0.149 Uani 1 1 d R . .
C6T C -0.00786(16) -0.0170(3) 0.03192(16) 0.133 Uani 1 1 d R . .
C7T C -0.0223(4) 0.0167(7) -0.0052(4) 0.132 Uani 1 1 d . . .
C8T C -0.0610(4) 0.1422(6) -0.0408(4) 0.127 Uani 1 1 d . . .
C9T C -0.0721(4) 0.1798(5) -0.0751(3) 0.118 Uani 1 1 d . . .
C10T C -0.10446(14) 0.2149(3) -0.07748(15) 0.175 Uani 1 1 d . . .
C11T C -0.11363(14) 0.2558(3) -0.11036(15) 0.127 Uiso 1 1 d R . .
C12T C -0.11302(14) 0.2428(3) -0.14694(15) 0.157 Uiso 1 1 d R . .
C13T C -0.11659(14) 0.2838(3) -0.17408(15) 0.145 Uiso 1 1 d R . .
C14T C -0.12076(14) 0.3379(3) -0.16463(15) 0.170 Uiso 1 1 d R . .
C15T C -0.12137(14) 0.3510(3) -0.12805(15) 0.235 Uiso 1 1 d R . .
C16T C -0.11780(14) 0.3099(3) -0.10091(15) 0.143 Uiso 1 1 d R . .
C17T C -0.15035(14) 0.1810(3) -0.08448(15) 0.164 Uiso 1 1 d R . .
C18T C -0.16161(14) 0.1308(3) -0.10276(15) 0.204 Uiso 1 1 d R . .
C19T C -0.19865(14) 0.1078(3) -0.10614(15) 0.355 Uiso 1 1 d R . .
C20T C -0.22442(14) 0.1351(3) -0.09125(15) 0.294 Uiso 1 1 d R . .
C21T C -0.21316(14) 0.1853(3) -0.07297(15) 0.424 Uiso 1 1 d R . .
C22T C -0.17612(14) 0.2083(3) -0.06959(15) 0.651 Uiso 1 1 d R . .
C23T C -0.1528(5) 0.1015(8) 0.0031(6) 0.213 Uiso 1 1 d D . .
C24T C -0.1632(7) 0.0768(12) 0.0348(7) 0.282 Uiso 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2T Mn1A O1A 96.2(4) . . ?
O2T Mn1A O3A 97.0(4) . . ?
O1A Mn1A O3A 166.6(5) . . ?
O2T Mn1A N1A 174.3(5) . . ?
O1A Mn1A N1A 89.3(5) . . ?
O3A Mn1A N1A 77.5(5) . . ?
O2T Mn1A O4A 83.2(4) . . ?
O1A Mn1A O4A 96.1(5) . . ?
O3A Mn1A O4A 87.5(4) . . ?
N1A Mn1A O4A 94.7(4) . . ?
O2T Mn1A N2T 74.8(3) . . ?
O1A Mn1A N2T 92.3(4) . . ?
O3A Mn1A N2T 89.2(3) . . ?
N1A Mn1A N2T 106.7(4) . . ?
O4A Mn1A N2T 157.2(4) . . ?
C1A O1A Mn1A 123.1(8) . . ?
C7A O2A Mn1B 116.5(9) . . ?
C8A O3A Mn1A 114.9(9) . . ?
C23A O4A Mn1A 163.5(19) . . ?
C7A N1A N2A 116.4(12) . . ?
C7A N1A Mn1A 129.5(10) . . ?
N2A N1A Mn1A 111.8(8) . . ?
C8A N2A N1A 113.4(10) . . ?
C8A N2A Mn1B 138.7(8) . . ?
N1A N2A Mn1B 107.5(6) . . ?
O1A C1A C2A 139.4(6) . . ?
O1A C1A C6A 100.3(7) . . ?
C2A C1A C6A 120.0 . . ?
C3A C2A C1A 120.0 . . ?
C3A C2A C7A 126.0(8) . . ?
C1A C2A C7A 114.0(8) . . ?
C4A C3A C2A 120.0 . . ?
C3A C4A C5A 120.0 . . ?
C6A C5A C4A 120.0 . . ?
C5A C6A C1A 120.0 . . ?
N1A C7A O2A 122.4(13) . . ?
N1A C7A C2A 121.0(15) . . ?
O2A C7A C2A 115.6(14) . . ?
N2A C8A O3A 122.4(11) . . ?
N2A C8A C9A 121.0(13) . . ?
O3A C8A C9A 116.5(14) . . ?
C8A C9A C10A 117.0(12) . . ?
C11A C10A C9A 114.6(7) . . ?
C11A C10A C17A 108.0 . . ?
C9A C10A C17A 111.6(7) . . ?
C12A C11A C16A 120.0 . . ?
C12A C11A C10A 125.2 . . ?
C16A C11A C10A 114.8 . . ?
C13A C12A C11A 120.0 . . ?
C14A C13A C12A 120.0 . . ?
C13A C14A C15A 120.0 . . ?
C16A C15A C14A 120.0 . . ?
C15A C16A C11A 120.0 . . ?
C18A C17A C22A 120.0 . . ?
C18A C17A C10A 117.3 . . ?
C22A C17A C10A 122.6 . . ?
C19A C18A C17A 120.0 . . ?
C18A C19A C20A 120.0 . . ?
C19A C20A C21A 120.0 . . ?
C22A C21A C20A 120.0 . . ?
C21A C22A C17A 120.0 . . ?
O4A C23A C24A 120(3) . . ?
N1B Mn1B O1B 89.9(6) . . ?
N1B Mn1B O3B 74.9(5) . . ?
O1B Mn1B O3B 164.1(4) . . ?
N1B Mn1B O2A 162.9(5) . . ?
O1B Mn1B O2A 105.5(4) . . ?
O3B Mn1B O2A 89.2(4) . . ?
N1B Mn1B N2A 110.7(5) . . ?
O1B Mn1B N2A 93.7(4) . . ?
O3B Mn1B N2A 95.8(3) . . ?
O2A Mn1B N2A 76.5(3) . . ?
N1B Mn1B O4B 88.4(6) . . ?
O1B Mn1B O4B 83.8(5) . . ?
O3B Mn1B O4B 91.2(4) . . ?
O2A Mn1B O4B 85.7(5) . . ?
N2A Mn1B O4B 160.7(4) . . ?
C1B O1B Mn1B 133.8(6) . . ?
C7B O2B Mn1C 120.8(13) . . ?
C8B O3B Mn1B 115.7(10) . . ?
C23B O4B Mn1B 122.4(17) . . ?
N2B N1B C7B 114.9(12) . . ?
N2B N1B Mn1B 120.3(11) . . ?
C7B N1B Mn1B 124.7(9) . . ?
C8B N2B N1B 109.5(11) . . ?
C8B N2B Mn1C 142.7(9) . . ?
N1B N2B Mn1C 107.3(8) . . ?
O1B C1B C2B 117.4(5) . . ?
O1B C1B C6B 122.6(5) . . ?
C2B C1B C6B 120.0 . . ?
C1B C2B C3B 120.0 . . ?
C2B C3B C4B 120.0 . . ?
C5B C4B C3B 120.0 . . ?
C4B C5B C6B 120.0 . . ?
C5B C6B C1B 120.0 . . ?
C5B C6B C7B 125.8(6) . . ?
C1B C6B C7B 114.1(6) . . ?
O2B C7B N1B 122.2(14) . . ?
O2B C7B C6B 109.2(16) . . ?
N1B C7B C6B 127.5(10) . . ?
N2B C8B O3B 117.4(12) . . ?
N2B C8B C9B 115.6(16) . . ?
O3B C8B C9B 124.3(15) . . ?
C8B C9B C10B 106.1(10) . . ?
C17B C10B C11B 140.0 . . ?
C17B C10B C9B 124.9(6) . . ?
C11B C10B C9B 94.2(6) . . ?
C12B C11B C16B 120.0 . . ?
C12B C11B C10B 134.9 . . ?
C16B C11B C10B 104.8 . . ?
C11B C12B C13B 120.0 . . ?
C14B C13B C12B 120.0 . . ?
C13B C14B C15B 120.0 . . ?
C16B C15B C14B 120.0 . . ?
C15B C16B C11B 120.0 . . ?
C10B C17B C18B 115.7 . . ?
C10B C17B C22B 118.9 . . ?
C18B C17B C22B 120.0 . . ?
C19B C18B C17B 120.0 . . ?
C20B C19B C18B 120.0 . . ?
C19B C20B C21B 120.0 . . ?
C22B C21B C20B 120.0 . . ?
C21B C22B C17B 120.0 . . ?
O4B C23B C24B 120(3) . . ?
O1C Mn1C O3C 174.7(7) . . ?
O1C Mn1C N1C 98.0(6) . . ?
O3C Mn1C N1C 77.3(5) . . ?
O1C Mn1C O2B 88.5(6) . . ?
O3C Mn1C O2B 96.1(5) . . ?
N1C Mn1C O2B 173.3(5) . . ?
O1C Mn1C O4C 91.4(7) . . ?
O3C Mn1C O4C 91.3(4) . . ?
N1C Mn1C O4C 91.8(5) . . ?
O2B Mn1C O4C 89.7(5) . . ?
O1C Mn1C N2B 90.0(6) . . ?
O3C Mn1C N2B 88.7(3) . . ?
N1C Mn1C N2B 103.5(5) . . ?
O2B Mn1C N2B 74.7(4) . . ?
O4C Mn1C N2B 164.3(4) . . ?
C1C O1C Mn1C 120.8(11) . . ?
C7C O2C Mn1D 125.5(13) . . ?
C8C O3C Mn1C 116.7(10) . . ?
C23C O4C Mn1C 126.1(11) . . ?
N2C N1C C7C 113.6(13) . . ?
N2C N1C Mn1C 119.3(9) . . ?
C7C N1C Mn1C 126.7(11) . . ?
N1C N2C C8C 104.4(11) . . ?
N1C N2C Mn1D 113.2(7) . . ?
C8C N2C Mn1D 141.9(9) . . ?
O1C C1C C6C 136.4(8) . . ?
O1C C1C C2C 103.0(8) . . ?
C6C C1C C2C 120.0 . . ?
C3C C2C C1C 120.0 . . ?
C2C C3C C4C 120.0 . . ?
C3C C4C C5C 120.0 . . ?
C6C C5C C4C 120.0 . . ?
C5C C6C C1C 120.0 . . ?
C5C C6C C7C 113.2(9) . . ?
C1C C6C C7C 120.7(11) . . ?
O2C C7C C6C 133.5(18) . . ?
O2C C7C N1C 111.2(16) . . ?
C6C C7C N1C 115.3(18) . . ?
O3C C8C N2C 121.1(15) . . ?
O3C C8C C9C 122.8(14) . . ?
N2C C8C C9C 115.3(14) . . ?
C10C C9C C8C 111.4(17) . . ?
C9C C10C C17C 104.2(9) . . ?
C9C C10C C11C 115.1(7) . . ?
C17C C10C C11C 111.2 . . ?
C12C C11C C16C 120.0 . . ?
C12C C11C C10C 122.9 . . ?
C16C C11C C10C 116.8 . . ?
C11C C12C C13C 120.0 . . ?
C14C C13C C12C 120.0 . . ?
C13C C14C C15C 120.0 . . ?
C14C C15C C16C 120.0 . . ?
C15C C16C C11C 120.0 . . ?
C22C C17C C18C 120.0 . . ?
C22C C17C C10C 117.5 . . ?
C18C C17C C10C 119.0 . . ?
C17C C18C C19C 120.0 . . ?
C20C C19C C18C 120.0 . . ?
C19C C20C C21C 120.0 . . ?
C20C C21C C22C 120.0 . . ?
C17C C22C C21C 120.0 . . ?
O4C C23C C24C 122(2) . . ?
O1D Mn1D N1D 91.3(5) . . ?
O1D Mn1D O2C 100.3(5) . . ?
N1D Mn1D O2C 167.2(5) . . ?
O1D Mn1D O3D 168.7(4) . . ?
N1D Mn1D O3D 77.6(5) . . ?
O2C Mn1D O3D 91.0(5) . . ?
O1D Mn1D O4D 91.9(6) . . ?
N1D Mn1D O4D 91.3(5) . . ?
O2C Mn1D O4D 83.0(5) . . ?
O3D Mn1D O4D 90.6(5) . . ?
O1D Mn1D N2C 88.4(4) . . ?
N1D Mn1D N2C 110.3(4) . . ?
O2C Mn1D N2C 75.7(4) . . ?
O3D Mn1D N2C 93.4(4) . . ?
O4D Mn1D N2C 158.3(4) . . ?
C1D O1D Mn1D 129.9(6) . . ?
C7D O2D Mn1E 117.8(9) . . ?
C8D O3D Mn1D 116.0(11) . . ?
C23D O4D Mn1D 131.8(17) . . ?
C7D N1D N2D 108.5(11) . . ?
C7D N1D Mn1D 132.4(10) . . ?
N2D N1D Mn1D 118.9(9) . . ?
C8D N2D N1D 101.9(10) . . ?
C8D N2D Mn1E 147.6(8) . . ?
N1D N2D Mn1E 110.0(7) . . ?
O1D C1D C2D 114.7(4) . . ?
O1D C1D C6D 125.3(4) . . ?
C2D C1D C6D 120.0 . . ?
C3D C2D C1D 120.0 . . ?
C2D C3D C4D 120.0 . . ?
C3D C4D C5D 120.0 . . ?
C6D C5D C4D 120.0 . . ?
C5D C6D C1D 120.0 . . ?
C5D C6D C7D 119.1(7) . . ?
C1D C6D C7D 120.9(7) . . ?
O2D C7D N1D 129.7(13) . . ?
O2D C7D C6D 111.9(13) . . ?
N1D C7D C6D 118.3(11) . . ?
O3D C8D N2D 124.6(14) . . ?
O3D C8D C9D 128.1(15) . . ?
N2D C8D C9D 107.2(13) . . ?
C10D C9D C8D 100.1(10) . . ?
C11D C10D C17D 107.6 . . ?
C11D C10D C9D 115.1(5) . . ?
C17D C10D C9D 104.3(5) . . ?
C12D C11D C16D 120.0 . . ?
C12D C11D C10D 126.3 . . ?
C16D C11D C10D 113.7 . . ?
C11D C12D C13D 120.0 . . ?
C12D C13D C14D 120.0 . . ?
C15D C14D C13D 120.0 . . ?
C14D C15D C16D 120.0 . . ?
C11D C16D C15D 120.0 . . ?
C18D C17D C22D 120.0 . . ?
C18D C17D C10D 115.0 . . ?
C22D C17D C10D 125.0 . . ?
C19D C18D C17D 120.0 . . ?
C18D C19D C20D 120.0 . . ?
C21D C20D C19D 120.0 . . ?
C22D C21D C20D 120.0 . . ?
C21D C22D C17D 120.0 . . ?
O4D C23D C24D 112(2) . . ?
O3E Mn1E O1E 172.8(4) . . ?
O3E Mn1E N1E 80.7(5) . . ?
O1E Mn1E N1E 92.2(5) . . ?
O3E Mn1E O2D 93.8(4) . . ?
O1E Mn1E O2D 93.1(4) . . ?
N1E Mn1E O2D 171.9(4) . . ?
O3E Mn1E O4E 91.0(5) . . ?
O1E Mn1E O4E 91.2(4) . . ?
N1E Mn1E O4E 100.6(4) . . ?
O2D Mn1E O4E 85.4(4) . . ?
O3E Mn1E N2D 90.5(3) . . ?
O1E Mn1E N2D 89.8(3) . . ?
N1E Mn1E N2D 100.1(3) . . ?
O2D Mn1E N2D 73.9(3) . . ?
O4E Mn1E N2D 159.2(3) . . ?
C1E O1E Mn1E 124.6(6) . . ?
C7E O2E Mn1F 118.7(7) . . ?
C8E O3E Mn1E 118.5(8) . . ?
C23E O4E Mn1E 131.0(15) . . ?
C7E N1E N2E 114.6(9) . . ?
C7E N1E Mn1E 131.2(10) . . ?
N2E N1E Mn1E 114.2(7) . . ?
C8E N2E N1E 109.8(9) . . ?
C8E N2E Mn1F 142.0(8) . . ?
N1E N2E Mn1F 107.6(5) . . ?
O1E C1E C6E 126.1(4) . . ?
O1E C1E C2E 113.9(4) . . ?
C6E C1E C2E 120.0 . . ?
C3E C2E C1E 120.0 . . ?
C2E C3E C4E 120.0 . . ?
C3E C4E C5E 120.0 . . ?
C6E C5E C4E 120.0 . . ?
C5E C6E C1E 120.0 . . ?
C5E C6E C7E 114.8(6) . . ?
C1E C6E C7E 124.8(6) . . ?
O2E C7E N1E 120.0(11) . . ?
O2E C7E C6E 122.3(11) . . ?
N1E C7E C6E 117.6(11) . . ?
N2E C8E O3E 116.8(11) . . ?
N2E C8E C9E 110.7(13) . . ?
O3E C8E C9E 132.1(12) . . ?
C8E C9E C10E 111.0(11) . . ?
C17E C10E C9E 110.1(6) . . ?
C17E C10E C11E 108.6 . . ?
C9E C10E C11E 107.5(5) . . ?
C12E C11E C16E 120.0 . . ?
C12E C11E C10E 116.4 . . ?
C16E C11E C10E 118.7 . . ?
C13E C12E C11E 120.0 . . ?
C12E C13E C14E 120.0 . . ?
C15E C14E C13E 120.0 . . ?
C14E C15E C16E 120.0 . . ?
C11E C16E C15E 120.0 . . ?
C10E C17E C18E 121.3 . . ?
C10E C17E C22E 118.6 . . ?
C18E C17E C22E 120.0 . . ?
C19E C18E C17E 120.0 . . ?
C18E C19E C20E 120.0 . . ?
C21E C20E C19E 120.0 . . ?
C20E C21E C22E 120.0 . . ?
C21E C22E C17E 120.0 . . ?
O4E C23E C24E 109(2) . . ?
O1F Mn1F N1F 90.3(4) . . ?
O1F Mn1F O3F 171.4(4) . . ?
N1F Mn1F O3F 81.1(4) . . ?
O1F Mn1F O2E 100.6(4) . . ?
N1F Mn1F O2E 168.1(4) . . ?
O3F Mn1F O2E 88.0(4) . . ?
O1F Mn1F N2E 92.0(3) . . ?
N1F Mn1F N2E 107.5(3) . . ?
O3F Mn1F N2E 90.4(3) . . ?
O2E Mn1F N2E 77.3(3) . . ?
O1F Mn1F O4F 92.1(4) . . ?
N1F Mn1F O4F 89.5(4) . . ?
O3F Mn1F O4F 88.0(3) . . ?
O2E Mn1F O4F 85.2(3) . . ?
N2E Mn1F O4F 162.5(3) . . ?
C1F O1F Mn1F 131.7(7) . . ?
C7F O2F Mn1G 123.0(11) . . ?
C8F O3F Mn1F 110.6(8) . . ?
C23F O4F Mn1F 122.8(11) . . ?
N2F N1F C7F 106.4(10) . . ?
N2F N1F Mn1F 115.2(7) . . ?
C7F N1F Mn1F 135.6(9) . . ?
C8F N2F N1F 111.8(9) . . ?
C8F N2F Mn1G 135.9(8) . . ?
N1F N2F Mn1G 112.0(6) . . ?
O1F C1F C2F 115.0(5) . . ?
O1F C1F C6F 125.0(5) . . ?
C2F C1F C6F 120.0 . . ?
C1F C2F C3F 120.0 . . ?
C4F C3F C2F 120.0 . . ?
C5F C4F C3F 120.0 . . ?
C4F C5F C6F 120.0 . . ?
C5F C6F C1F 120.0 . . ?
C5F C6F C7F 111.0(7) . . ?
C1F C6F C7F 128.8(6) . . ?
O2F C7F N1F 123.1(14) . . ?
O2F C7F C6F 129.4(14) . . ?
N1F C7F C6F 107.4(11) . . ?
N2F C8F O3F 118.9(12) . . ?
N2F C8F C9F 122.2(12) . . ?
O3F C8F C9F 118.4(11) . . ?
C10F C9F C8F 111.2(10) . . ?
C9F C10F C11F 113.5(5) . . ?
C9F C10F C17F 116.4(5) . . ?
C11F C10F C17F 113.3 . . ?
C12F C11F C16F 120.0 . . ?
C12F C11F C10F 115.7 . . ?
C16F C11F C10F 124.0 . . ?
C13F C12F C11F 120.0 . . ?
C12F C13F C14F 120.0 . . ?
C13F C14F C15F 120.0 . . ?
C16F C15F C14F 120.0 . . ?
C15F C16F C11F 120.0 . . ?
C22F C17F C18F 120.0 . . ?
C22F C17F C10F 119.4 . . ?
C18F C17F C10F 120.6 . . ?
C19F C18F C17F 120.0 . . ?
C18F C19F C20F 120.0 . . ?
C21F C20F C19F 120.0 . . ?
C20F C21F C22F 120.0 . . ?
C21F C22F C17F 120.0 . . ?
C23F N3F C25F 121.9(14) . . ?
C23F N3F C24F 118.7(19) . . ?
C25F N3F C24F 118(2) . . ?
O4F C23F N3F 120.9(17) . . ?
O2F Mn1G O1G 94.9(5) . . ?
O2F Mn1G N1G 174.7(5) . . ?
O1G Mn1G N1G 90.2(5) . . ?
O2F Mn1G O3G 95.0(4) . . ?
O1G Mn1G O3G 169.9(4) . . ?
N1G Mn1G O3G 79.9(4) . . ?
O2F Mn1G N2F 74.7(4) . . ?
O1G Mn1G N2F 91.2(3) . . ?
N1G Mn1G N2F 103.8(4) . . ?
O3G Mn1G N2F 93.2(3) . . ?
O2F Mn1G O4G 87.0(4) . . ?
O1G Mn1G O4G 89.8(5) . . ?
N1G Mn1G O4G 94.5(4) . . ?
O3G Mn1G O4G 88.9(5) . . ?
N2F Mn1G O4G 161.6(3) . . ?
O2F Mn1G C8G 121.9(6) . . ?
O1G Mn1G C8G 142.8(7) . . ?
N1G Mn1G C8G 53.2(6) . . ?
O3G Mn1G C8G 27.1(6) . . ?
N2F Mn1G C8G 103.0(4) . . ?
O4G Mn1G C8G 87.0(5) . . ?
C1G O1G Mn1G 125.0(6) . . ?
C7G O2G Mn1H 119.0(8) . . ?
C8G O3G Mn1G 106.4(11) . . ?
C23G O4G Mn1G 119.6(14) . . ?
N2G N1G C7G 111.6(10) . . ?
N2G N1G Mn1G 117.4(6) . . ?
C7G N1G Mn1G 129.7(10) . . ?
C8G N2G N1G 103.9(10) . . ?
C8G N2G Mn1H 143.6(9) . . ?
N1G N2G Mn1H 112.5(5) . . ?
C2G C1G C6G 120.0 . . ?
C2G C1G O1G 112.3(4) . . ?
C6G C1G O1G 127.6(4) . . ?
C3G C2G C1G 120.0 . . ?
C4G C3G C2G 120.0 . . ?
C3G C4G C5G 120.0 . . ?
C6G C5G C4G 120.0 . . ?
C5G C6G C1G 120.0 . . ?
C5G C6G C7G 121.3(6) . . ?
C1G C6G C7G 118.5(6) . . ?
O2G C7G N1G 122.8(12) . . ?
O2G C7G C6G 113.3(11) . . ?
N1G C7G C6G 123.8(12) . . ?
O3G C8G N2G 130.6(14) . . ?
O3G C8G C9G 112.5(19) . . ?
N2G C8G C9G 112.3(15) . . ?
O3G C8G Mn1G 46.4(8) . . ?
N2G C8G Mn1G 85.4(9) . . ?
C9G C8G Mn1G 157.4(15) . . ?
C10G C9G C8G 102.9(11) . . ?
C11G C10G C17G 110.2 . . ?
C11G C10G C9G 119.3(7) . . ?
C17G C10G C9G 94.1(6) . . ?
C10G C11G C16G 104.5 . . ?
C10G C11G C12G 135.3 . . ?
C16G C11G C12G 120.0 . . ?
C13G C12G C11G 120.0 . . ?
C14G C13G C12G 120.0 . . ?
C13G C14G C15G 120.0 . . ?
C16G C15G C14G 120.0 . . ?
C15G C16G C11G 120.0 . . ?
C22G C17G C18G 120.0 . . ?
C22G C17G C10G 114.2 . . ?
C18G C17G C10G 125.2 . . ?
C19G C18G C17G 120.0 . . ?
C20G C19G C18G 120.0 . . ?
C19G C20G C21G 120.0 . . ?
C20G C21G C22G 120.0 . . ?
C17G C22G C21G 120.0 . . ?
O4G C23G C24G 113.4(18) . . ?
O1H Mn1H N1H 90.4(5) . . ?
O1H Mn1H O3H 170.1(4) . . ?
N1H Mn1H O3H 79.8(5) . . ?
O1H Mn1H O2G 99.6(4) . . ?
N1H Mn1H O2G 169.5(5) . . ?
O3H Mn1H O2G 90.2(4) . . ?
O1H Mn1H O4H 89.2(4) . . ?
N1H Mn1H O4H 93.5(5) . . ?
O3H Mn1H O4H 90.3(4) . . ?
O2G Mn1H O4H 83.4(4) . . ?
O1H Mn1H N2G 93.5(3) . . ?
N1H Mn1H N2G 110.0(4) . . ?
O3H Mn1H N2G 90.9(3) . . ?
O2G Mn1H N2G 72.9(3) . . ?
O4H Mn1H N2G 156.3(4) . . ?
C1H O1H Mn1H 126.9(7) . . ?
C7H O2H Mn1I 117.3(10) . . ?
C8H O3H Mn1H 112.2(9) . . ?
C23H O4H Mn1H 135.8(18) . . ?
C7H N1H N2H 107.5(10) . . ?
C7H N1H Mn1H 134.8(10) . . ?
N2H N1H Mn1H 117.6(8) . . ?
C8H N2H N1H 105.8(9) . . ?
C8H N2H Mn1I 144.0(8) . . ?
N1H N2H Mn1I 110.1(6) . . ?
C2H C1H C6H 120.0 . . ?
C2H C1H O1H 110.9(4) . . ?
C6H C1H O1H 128.7(4) . . ?
C1H C2H C3H 120.0 . . ?
C2H C3H C4H 120.0 . . ?
C5H C4H C3H 120.0 . . ?
C4H C5H C6H 120.0 . . ?
C1H C6H C5H 120.0 . . ?
C1H C6H C7H 117.6(8) . . ?
C5H C6H C7H 122.4(8) . . ?
O2H C7H N1H 127.0(12) . . ?
O2H C7H C6H 112.7(15) . . ?
N1H C7H C6H 120.1(14) . . ?
N2H C8H O3H 123.3(12) . . ?
N2H C8H C9H 119.9(11) . . ?
O3H C8H C9H 116.4(12) . . ?
C10H C9H C8H 110.5(10) . . ?
C9H C10H C11H 127.3(8) . . ?
C9H C10H C17H 110.9(7) . . ?
C11H C10H C17H 111.7 . . ?
C16H C11H C12H 120.0 . . ?
C16H C11H C10H 115.4 . . ?
C12H C11H C10H 124.1 . . ?
C13H C12H C11H 120.0 . . ?
C12H C13H C14H 120.0 . . ?
C15H C14H C13H 120.0 . . ?
C16H C15H C14H 120.0 . . ?
C15H C16H C11H 120.0 . . ?
C18H C17H C22H 120.0 . . ?
C18H C17H C10H 126.3 . . ?
C22H C17H C10H 113.6 . . ?
C17H C18H C19H 120.0 . . ?
C18H C19H C20H 120.0 . . ?
C21H C20H C19H 120.0 . . ?
C20H C21H C22H 120.0 . . ?
C21H C22H C17H 120.0 . . ?
O4H C23H C24H 127(3) . . ?
N1I Mn1I O2H 171.8(4) . . ?
N1I Mn1I O1I 93.5(4) . . ?
O2H Mn1I O1I 94.0(4) . . ?
N1I Mn1I O3I 79.6(5) . . ?
O2H Mn1I O3I 92.9(4) . . ?
O1I Mn1I O3I 173.1(4) . . ?
N1I Mn1I O4I 91.3(4) . . ?
O2H Mn1I O4I 85.1(4) . . ?
O1I Mn1I O4I 92.4(4) . . ?
O3I Mn1I O4I 87.3(4) . . ?
N1I Mn1I N2H 105.6(4) . . ?
O2H Mn1I N2H 77.6(3) . . ?
O1I Mn1I N2H 90.8(3) . . ?
O3I Mn1I N2H 91.6(3) . . ?
O4I Mn1I N2H 162.5(4) . . ?
C1I O1I Mn1I 123.5(7) . . ?
C7I O2I Mn1J 118.3(11) . . ?
C8I O3I Mn1I 112.1(7) . . ?
C23I O4I Mn1I 115.5(12) . . ?
C7I N1I N2I 111.8(11) . . ?
C7I N1I Mn1I 130.9(10) . . ?
N2I N1I Mn1I 114.6(7) . . ?
C8I N2I N1I 115.1(11) . . ?
C8I N2I Mn1J 136.2(9) . . ?
N1I N2I Mn1J 108.7(6) . . ?
O1I C1I C2I 107.8(5) . . ?
O1I C1I C6I 132.0(5) . . ?
C2I C1I C6I 120.0 . . ?
C1I C2I C3I 120.0 . . ?
C4I C3I C2I 120.0 . . ?
C5I C4I C3I 120.0 . . ?
C4I C5I C6I 120.0 . . ?
C5I C6I C1I 120.0 . . ?
C5I C6I C7I 123.2(7) . . ?
C1I C6I C7I 116.2(7) . . ?
O2I C7I N1I 126.3(15) . . ?
O2I C7I C6I 112.1(15) . . ?
N1I C7I C6I 117.2(15) . . ?
N2I C8I C9I 127.7(16) . . ?
N2I C8I O3I 118.4(10) . . ?
C9I C8I O3I 113.8(13) . . ?
C8I C9I C10I 118.3(14) . . ?
C9I C10I C11I 110.8(7) . . ?
C9I C10I C17I 109.0(6) . . ?
C11I C10I C17I 101.7 . . ?
C12I C11I C16I 120.0 . . ?
C12I C11I C10I 126.4 . . ?
C16I C11I C10I 113.2 . . ?
C13I C12I C11I 120.0 . . ?
C12I C13I C14I 120.0 . . ?
C15I C14I C13I 120.0 . . ?
C14I C15I C16I 120.0 . . ?
C15I C16I C11I 120.0 . . ?
C22I C17I C18I 120.0 . . ?
C22I C17I C10I 115.9 . . ?
C18I C17I C10I 124.0 . . ?
C19I C18I C17I 120.0 . . ?
C18I C19I C20I 120.0 . . ?
C21I C20I C19I 120.0 . . ?
C20I C21I C22I 120.0 . . ?
C21I C22I C17I 120.0 . . ?
O4I C23I C24I 106.2(17) . . ?
O1J Mn1J O3J 167.4(5) . . ?
O1J Mn1J N1J 89.0(6) . . ?
O3J Mn1J N1J 78.5(5) . . ?
O1J Mn1J O2I 105.8(5) . . ?
O3J Mn1J O2I 86.7(5) . . ?
N1J Mn1J O2I 164.8(6) . . ?
O1J Mn1J N2I 90.9(4) . . ?
O3J Mn1J N2I 92.3(3) . . ?
N1J Mn1J N2I 110.2(4) . . ?
O2I Mn1J N2I 73.5(4) . . ?
O1J Mn1J O4J 86.7(5) . . ?
O3J Mn1J O4J 93.6(4) . . ?
N1J Mn1J O4J 85.9(4) . . ?
O2I Mn1J O4J 91.6(4) . . ?
N2I Mn1J O4J 163.7(3) . . ?
C1J O1J Mn1J 136.6(9) . . ?
Mn1K O2J C7J 145.6(12) . . ?
C8J O3J Mn1J 116.0(12) . . ?
C23J O4J Mn1J 122.5(16) . . ?
N2J N1J C7J 118.4(13) . . ?
N2J N1J Mn1J 109.2(9) . . ?
C7J N1J Mn1J 132.3(13) . . ?
C8J N2J N1J 116.5(18) . . ?
C8J N2J Mn1K 142.3(17) . . ?
N1J N2J Mn1K 100.9(7) . . ?
O1J C1J C2J 96.4(8) . . ?
O1J C1J C6J 134.0(7) . . ?
C2J C1J C6J 120.0 . . ?
C3J C2J C1J 120.0 . . ?
C2J C3J C4J 120.0 . . ?
C5J C4J C3J 120.0 . . ?
C4J C5J C6J 120.0 . . ?
C5J C6J C1J 120.0 . . ?
C5J C6J C7J 100.7(9) . . ?
C1J C6J C7J 117.0(9) . . ?
O2J C7J N1J 93.1(11) . . ?
O2J C7J C6J 149.5(15) . . ?
N1J C7J C6J 108.8(18) . . ?
N2J C8J O3J 118(2) . . ?
N2J C8J C9J 110(2) . . ?
O3J C8J C9J 129.4(18) . . ?
C8J C9J C10J 104.0(17) . . ?
C17J C10J C11J 104.7 . . ?
C17J C10J C9J 100.4(8) . . ?
C11J C10J C9J 94.3(7) . . ?
C12J C11J C16J 120.0 . . ?
C12J C11J C10J 106.3 . . ?
C16J C11J C10J 131.0 . . ?
C11J C12J C13J 120.0 . . ?
C12J C13J C14J 120.0 . . ?
C15J C14J C13J 120.0 . . ?
C14J C15J C16J 120.0 . . ?
C15J C16J C11J 120.0 . . ?
C18J C17J C22J 120.0 . . ?
C18J C17J C10J 103.9 . . ?
C22J C17J C10J 135.1 . . ?
C19J C18J C17J 120.0 . . ?
C18J C19J C20J 120.0 . . ?
C21J C20J C19J 120.0 . . ?
C20J C21J C22J 120.0 . . ?
C17J C22J C21J 120.0 . . ?
O4J C23J C24J 114.7(18) . . ?
O2J Mn1K O3K 85.7(8) . . ?
O2J Mn1K O1K 106.1(8) . . ?
O3K Mn1K O1K 168.0(6) . . ?
O2J Mn1K N1K 169.0(8) . . ?
O3K Mn1K N1K 83.7(5) . . ?
O1K Mn1K N1K 84.4(6) . . ?
O2J Mn1K O4K 82.1(7) . . ?
O3K Mn1K O4K 90.3(5) . . ?
O1K Mn1K O4K 88.9(6) . . ?
N1K Mn1K O4K 94.8(6) . . ?
O2J Mn1K N2J 81.1(5) . . ?
O3K Mn1K N2J 90.6(3) . . ?
O1K Mn1K N2J 93.6(4) . . ?
N1K Mn1K N2J 102.1(5) . . ?
O4K Mn1K N2J 163.1(6) . . ?
C1K O1K Mn1K 138.0(10) . . ?
C7K O2K Mn1L 121.2(14) . . ?
C8K O3K Mn1K 110.0(10) . . ?
C23K O4K Mn1K 103.5(13) . . ?
C7K N1K N2K 123.2(16) . . ?
C7K N1K Mn1K 132.7(12) . . ?
N2K N1K Mn1K 103.6(10) . . ?
C8K N2K N1K 121.2(13) . . ?
C8K N2K Mn1L 137.9(9) . . ?
N1K N2K Mn1L 100.9(8) . . ?
C2K C1K C6K 120.0 . . ?
C2K C1K O1K 135.4(6) . . ?
C6K C1K O1K 104.6(6) . . ?
C3K C2K C1K 120.0 . . ?
C2K C3K C4K 120.0 . . ?
C5K C4K C3K 120.0 . . ?
C6K C5K C4K 120.0 . . ?
C1K C6K C5K 120.0 . . ?
C1K C6K C7K 142.1(13) . . ?
C5K C6K C7K 97.5(13) . . ?
O2K C7K N1K 116.2(16) . . ?
O2K C7K C6K 129(2) . . ?
N1K C7K C6K 115(2) . . ?
O3K C8K N2K 121.2(13) . . ?
O3K C8K C9K 122.9(15) . . ?
N2K C8K C9K 115.6(14) . . ?
C8K C9K C10K 105.9(11) . . ?
C17K C10K C11K 104.9 . . ?
C17K C10K C9K 106.4(5) . . ?
C11K C10K C9K 108.5(5) . . ?
C12K C11K C16K 120.0 . . ?
C12K C11K C10K 129.8 . . ?
C16K C11K C10K 109.5 . . ?
C11K C12K C13K 120.0 . . ?
C14K C13K C12K 120.0 . . ?
C13K C14K C15K 120.0 . . ?
C16K C15K C14K 120.0 . . ?
C15K C16K C11K 120.0 . . ?
C18K C17K C22K 120.0 . . ?
C18K C17K C10K 123.0 . . ?
C22K C17K C10K 116.9 . . ?
C19K C18K C17K 120.0 . . ?
C18K C19K C20K 120.0 . . ?
C19K C20K C21K 120.0 . . ?
C22K C21K C20K 120.0 . . ?
C21K C22K C17K 120.0 . . ?
O1L Mn1L N1L 93.2(5) . . ?
O1L Mn1L O3L 170.1(4) . . ?
N1L Mn1L O3L 77.4(4) . . ?
O1L Mn1L O2K 93.0(5) . . ?
N1L Mn1L O2K 170.1(5) . . ?
O3L Mn1L O2K 95.9(5) . . ?
O1L Mn1L N2K 91.1(4) . . ?
N1L Mn1L N2K 111.4(4) . . ?
O3L Mn1L N2K 95.2(5) . . ?
O2K Mn1L N2K 76.2(5) . . ?
O1L Mn1L O4L 87.7(6) . . ?
N1L Mn1L O4L 89.0(5) . . ?
O3L Mn1L O4L 89.0(6) . . ?
O2K Mn1L O4L 83.5(6) . . ?
N2K Mn1L O4L 159.6(4) . . ?
C1L O1L Mn1L 132.7(5) . . ?
C7L O2L Mn1M 119.2(8) . . ?
C8L O3L Mn1L 111.9(9) . . ?
C23L O4L Mn1L 100(4) . . ?
C7L N1L N2L 114.0(10) . . ?
C7L N1L Mn1L 127.0(8) . . ?
N2L N1L Mn1L 118.6(9) . . ?
C8L N2L N1L 109.6(8) . . ?
C8L N2L Mn1M 138.9(6) . . ?
N1L N2L Mn1M 111.2(7) . . ?
O1L C1L C6L 115.9(4) . . ?
O1L C1L C2L 124.1(4) . . ?
C6L C1L C2L 120.0 . . ?
C3L C2L C1L 120.0 . . ?
C2L C3L C4L 120.0 . . ?
C5L C4L C3L 120.0 . . ?
C4L C5L C6L 120.0 . . ?
C1L C6L C5L 120.0 . . ?
C1L C6L C7L 129.2(8) . . ?
C5L C6L C7L 110.7(8) . . ?
N1L C7L O2L 121.3(9) . . ?
N1L C7L C6L 120.2(12) . . ?
O2L C7L C6L 117.2(14) . . ?
N2L C8L O3L 122.4(10) . . ?
N2L C8L C9L 125.7(9) . . ?
O3L C8L C9L 111.8(12) . . ?
C10L C9L C8L 116.2(11) . . ?
C9L C10L C11L 119.8(7) . . ?
C9L C10L C17L 103.9(7) . . ?
C11L C10L C17L 108.6 . . ?
C16L C11L C12L 120.0 . . ?
C16L C11L C10L 119.5 . . ?
C12L C11L C10L 119.4 . . ?
C13L C12L C11L 120.0 . . ?
C12L C13L C14L 120.0 . . ?
C15L C14L C13L 120.0 . . ?
C16L C15L C14L 120.0 . . ?
C15L C16L C11L 120.0 . . ?
C18L C17L C22L 120.0 . . ?
C18L C17L C10L 118.6 . . ?
C22L C17L C10L 121.2 . . ?
C17L C18L C19L 120.0 . . ?
C20L C19L C18L 120.0 . . ?
C21L C20L C19L 120.0 . . ?
C20L C21L C22L 120.0 . . ?
C17L C22L C21L 120.0 . . ?
O4L C23L C24L 114(3) . . ?
O1M Mn1M N1M 90.1(4) . . ?
O1M Mn1M O2L 94.4(3) . . ?
N1M Mn1M O2L 175.1(4) . . ?
O1M Mn1M O3M 170.3(3) . . ?
N1M Mn1M O3M 81.5(4) . . ?
O2L Mn1M O3M 94.2(3) . . ?
O1M Mn1M O4M 90.8(3) . . ?
N1M Mn1M O4M 99.9(3) . . ?
O2L Mn1M O4M 82.1(3) . . ?
O3M Mn1M O4M 85.8(3) . . ?
O1M Mn1M N2L 95.1(3) . . ?
N1M Mn1M N2L 104.5(3) . . ?
O2L Mn1M N2L 73.1(3) . . ?
O3M Mn1M N2L 91.8(3) . . ?
O4M Mn1M N2L 154.8(3) . . ?
C1M O1M Mn1M 131.3(6) . . ?
C7M O2M Mn1N 120.5(8) . . ?
C8M O3M Mn1M 110.6(8) . . ?
C23M O4M Mn1M 125.6(7) . . ?
C7M N1M N2M 117.3(10) . . ?
C7M N1M Mn1M 132.2(9) . . ?
N2M N1M Mn1M 110.5(7) . . ?
C8M N2M N1M 115.1(8) . . ?
C8M N2M Mn1N 136.8(7) . . ?
N1M N2M Mn1N 107.1(5) . . ?
O1M C1M C2M 116.7(4) . . ?
O1M C1M C6M 122.9(4) . . ?
C2M C1M C6M 120.0 . . ?
C1M C2M C3M 120.0 . . ?
C4M C3M C2M 120.0 . . ?
C5M C4M C3M 120.0 . . ?
C4M C5M C6M 120.0 . . ?
C5M C6M C1M 120.0 . . ?
C5M C6M C7M 115.5(6) . . ?
C1M C6M C7M 124.5(6) . . ?
O2M C7M N1M 119.9(12) . . ?
O2M C7M C6M 122.7(11) . . ?
N1M C7M C6M 117.4(11) . . ?
N2M C8M O3M 121.9(12) . . ?
N2M C8M C9M 121.3(10) . . ?
O3M C8M C9M 116.9(10) . . ?
C10M C9M C8M 110.1(8) . . ?
C17M C10M C11M 118.1 . . ?
C17M C10M C9M 100.8(5) . . ?
C11M C10M C9M 113.1(5) . . ?
C12M C11M C16M 120.0 . . ?
C12M C11M C10M 127.4 . . ?
C16M C11M C10M 112.5 . . ?
C13M C12M C11M 120.0 . . ?
C12M C13M C14M 120.0 . . ?
C15M C14M C13M 120.0 . . ?
C14M C15M C16M 120.0 . . ?
C15M C16M C11M 120.0 . . ?
C18M C17M C22M 120.0 . . ?
C18M C17M C10M 124.5 . . ?
C22M C17M C10M 115.3 . . ?
C17M C18M C19M 120.0 . . ?
C20M C19M C18M 120.0 . . ?
C19M C20M C21M 120.0 . . ?
C22M C21M C20M 120.0 . . ?
C21M C22M C17M 120.0 . . ?
C24M C23M O4M 113.5(13) . . ?
N1N Mn1N O3N 79.2(3) . . ?
N1N Mn1N O1N 89.5(3) . . ?
O3N Mn1N O1N 168.8(3) . . ?
N1N Mn1N O2M 170.1(3) . . ?
O3N Mn1N O2M 91.6(3) . . ?
O1N Mn1N O2M 99.6(3) . . ?
N1N Mn1N N2M 108.9(3) . . ?
O3N Mn1N N2M 91.1(3) . . ?
O1N Mn1N N2M 92.6(3) . . ?
O2M Mn1N N2M 74.9(3) . . ?
N1N Mn1N O4N 91.2(3) . . ?
O3N Mn1N O4N 89.3(3) . . ?
O1N Mn1N O4N 90.9(3) . . ?
O2M Mn1N O4N 84.7(3) . . ?
N2M Mn1N O4N 159.6(3) . . ?
C1N O1N Mn1N 130.3(5) . . ?
C7N O2N Mn1O 120.2(6) . . ?
C8N O3N Mn1N 113.1(6) . . ?
C23N O4N Mn1N 124.1(7) . . ?
C7N N1N N2N 113.4(7) . . ?
C7N N1N Mn1N 128.6(7) . . ?
N2N N1N Mn1N 117.5(6) . . ?
C8N N2N N1N 107.0(6) . . ?
C8N N2N Mn1O 140.8(5) . . ?
N1N N2N Mn1O 111.8(5) . . ?
O1N C1N C2N 113.5(4) . . ?
O1N C1N C6N 126.5(4) . . ?
C2N C1N C6N 120.0 . . ?
C1N C2N C3N 120.0 . . ?
C4N C3N C2N 120.0 . . ?
C3N C4N C5N 120.0 . . ?
C6N C5N C4N 120.0 . . ?
C5N C6N C1N 120.0 . . ?
C5N C6N C7N 122.0(5) . . ?
C1N C6N C7N 118.0(5) . . ?
N1N C7N O2N 120.1(8) . . ?
N1N C7N C6N 125.8(9) . . ?
O2N C7N C6N 114.0(9) . . ?
N2N C8N O3N 122.2(8) . . ?
N2N C8N C9N 121.5(9) . . ?
O3N C8N C9N 116.3(9) . . ?
C8N C9N C10N 112.6(8) . . ?
C9N C10N C17N 112.7(4) . . ?
C9N C10N C11N 111.6(4) . . ?
C17N C10N C11N 109.2 . . ?
C12N C11N C16N 120.0 . . ?
C12N C11N C10N 121.4 . . ?
C16N C11N C10N 118.4 . . ?
C13N C12N C11N 120.0 . . ?
C12N C13N C14N 120.0 . . ?
C13N C14N C15N 120.0 . . ?
C16N C15N C14N 120.0 . . ?
C15N C16N C11N 120.0 . . ?
C18N C17N C22N 120.0 . . ?
C18N C17N C10N 115.5 . . ?
C22N C17N C10N 124.3 . . ?
C17N C18N C19N 120.0 . . ?
C18N C19N C20N 120.0 . . ?
C19N C20N C21N 120.0 . . ?
C22N C21N C20N 120.0 . . ?
C21N C22N C17N 120.0 . . ?
O4N C23N C24N 112.5(11) . . ?
O1O Mn1O N1O 92.2(3) . . ?
O1O Mn1O O2N 94.9(3) . . ?
N1O Mn1O O2N 172.3(4) . . ?
O1O Mn1O O3O 170.0(3) . . ?
N1O Mn1O O3O 77.8(3) . . ?
O2N Mn1O O3O 95.0(3) . . ?
O1O Mn1O O4O 92.4(3) . . ?
N1O Mn1O O4O 102.3(3) . . ?
O2N Mn1O O4O 80.2(3) . . ?
O3O Mn1O O4O 90.2(3) . . ?
O1O Mn1O N2N 91.6(2) . . ?
N1O Mn1O N2N 102.7(3) . . ?
O2N Mn1O N2N 74.4(2) . . ?
O3O Mn1O N2N 90.1(2) . . ?
O4O Mn1O N2N 154.5(2) . . ?
C1O O1O Mn1O 127.5(4) . . ?
C7O O2O Mn1P 119.9(7) . . ?
C8O O3O Mn1O 111.9(7) . . ?
C23O O4O Mn1O 127.5(8) . . ?
N2O N1O C7O 116.2(7) . . ?
N2O N1O Mn1O 118.7(5) . . ?
C7O N1O Mn1O 124.0(7) . . ?
C8O N2O N1O 108.6(7) . . ?
C8O N2O Mn1P 139.8(7) . . ?
N1O N2O Mn1P 111.4(4) . . ?
O1O C1O C6O 124.6(3) . . ?
O1O C1O C2O 115.4(3) . . ?
C6O C1O C2O 120.0 . . ?
C3O C2O C1O 120.0 . . ?
C2O C3O C4O 120.0 . . ?
C3O C4O C5O 120.0 . . ?
C6O C5O C4O 120.0 . . ?
C5O C6O C1O 120.0 . . ?
C5O C6O C7O 118.9(4) . . ?
C1O C6O C7O 120.5(5) . . ?
O2O C7O N1O 114.0(9) . . ?
O2O C7O C6O 119.2(10) . . ?
N1O C7O C6O 126.7(9) . . ?
N2O C8O O3O 122.9(11) . . ?
N2O C8O C9O 118.9(12) . . ?
O3O C8O C9O 118.2(12) . . ?
C8O C9O C10O 115.8(10) . . ?
C11O C10O C9O 112.0(5) . . ?
C11O C10O C17O 111.1 . . ?
C9O C10O C17O 108.1(6) . . ?
C12O C11O C16O 120.0 . . ?
C12O C11O C10O 121.5 . . ?
C16O C11O C10O 118.3 . . ?
C11O C12O C13O 120.0 . . ?
C14O C13O C12O 120.0 . . ?
C13O C14O C15O 120.0 . . ?
C16O C15O C14O 120.0 . . ?
C15O C16O C11O 120.0 . . ?
C18O C17O C22O 120.0 . . ?
C18O C17O C10O 115.1 . . ?
C22O C17O C10O 124.9 . . ?
C17O C18O C19O 120.0 . . ?
C18O C19O C20O 120.0 . . ?
C19O C20O C21O 120.0 . . ?
C22O C21O C20O 120.0 . . ?
C21O C22O C17O 120.0 . . ?
O4O C23O C24O 109.7(12) . . ?
O1P Mn1P N1P 91.3(3) . . ?
O1P Mn1P O3P 170.4(3) . . ?
N1P Mn1P O3P 79.4(3) . . ?
O1P Mn1P O2O 101.8(3) . . ?
N1P Mn1P O2O 165.4(3) . . ?
O3P Mn1P O2O 87.8(3) . . ?
O1P Mn1P N2O 90.0(2) . . ?
N1P Mn1P N2O 112.3(3) . . ?
O3P Mn1P N2O 91.6(2) . . ?
O2O Mn1P N2O 74.6(2) . . ?
O1P Mn1P O4P 90.5(3) . . ?
N1P Mn1P O4P 88.2(3) . . ?
O3P Mn1P O4P 91.3(3) . . ?
O2O Mn1P O4P 85.2(3) . . ?
N2O Mn1P O4P 159.5(2) . . ?
C1P O1P Mn1P 129.9(5) . . ?
C7P O2P Mn1Q 128.5(9) . . ?
C8P O3P Mn1P 110.6(9) . . ?
C23P O4P Mn1P 124.3(7) . . ?
C7P N1P N2P 115.3(8) . . ?
C7P N1P Mn1P 127.2(7) . . ?
N2P N1P Mn1P 116.5(6) . . ?
C8P N2P N1P 108.1(7) . . ?
C8P N2P Mn1Q 139.4(6) . . ?
N1P N2P Mn1Q 112.4(5) . . ?
O1P C1P C2P 118.0(4) . . ?
O1P C1P C6P 121.9(4) . . ?
C2P C1P C6P 120.0 . . ?
C3P C2P C1P 120.0 . . ?
C2P C3P C4P 120.0 . . ?
C5P C4P C3P 120.0 . . ?
C6P C5P C4P 120.0 . . ?
C7P C6P C5P 113.3(6) . . ?
C7P C6P C1P 126.4(6) . . ?
C5P C6P C1P 120.0 . . ?
O2P C7P N1P 112.4(11) . . ?
O2P C7P C6P 125.7(12) . . ?
N1P C7P C6P 121.8(9) . . ?
N2P C8P O3P 124.9(12) . . ?
N2P C8P C9P 123.3(10) . . ?
O3P C8P C9P 111.7(14) . . ?
C8P C9P C10P 113.8(10) . . ?
C17P C10P C11P 107.7 . . ?
C17P C10P C9P 114.9(6) . . ?
C11P C10P C9P 112.5(5) . . ?
C12P C11P C16P 120.0 . . ?
C12P C11P C10P 122.0 . . ?
C16P C11P C10P 118.0 . . ?
C13P C12P C11P 120.0 . . ?
C12P C13P C14P 120.0 . . ?
C15P C14P C13P 120.0 . . ?
C16P C15P C14P 120.0 . . ?
C15P C16P C11P 120.0 . . ?
C10P C17P C18P 123.4 . . ?
C10P C17P C22P 116.6 . . ?
C18P C17P C22P 120.0 . . ?
C17P C18P C19P 120.0 . . ?
C20P C19P C18P 120.0 . . ?
C19P C20P C21P 120.0 . . ?
C22P C21P C20P 120.0 . . ?
C21P C22P C17P 120.0 . . ?
O4P C23P C24P 106.0(12) . . ?
O3Q Mn1Q N1Q 80.9(4) . . ?
O3Q Mn1Q O1Q 172.9(4) . . ?
N1Q Mn1Q O1Q 92.1(5) . . ?
O3Q Mn1Q O2P 93.0(4) . . ?
N1Q Mn1Q O2P 171.6(4) . . ?
O1Q Mn1Q O2P 94.0(4) . . ?
O3Q Mn1Q N2P 89.7(3) . . ?
N1Q Mn1Q N2P 102.7(3) . . ?
O1Q Mn1Q N2P 92.7(3) . . ?
O2P Mn1Q N2P 71.3(3) . . ?
O3Q Mn1Q O4Q 91.2(4) . . ?
N1Q Mn1Q O4Q 101.2(4) . . ?
O1Q Mn1Q O4Q 89.3(4) . . ?
O2P Mn1Q O4Q 84.6(4) . . ?
N2P Mn1Q O4Q 155.9(3) . . ?
C1Q O1Q Mn1Q 131.4(7) . . ?
C7Q O2Q Mn1R 120.0(10) . . ?
C8Q O3Q Mn1Q 111.7(8) . . ?
C23Q O4Q Mn1Q 127.0(19) . . ?
C7Q N1Q N2Q 112.4(12) . . ?
C7Q N1Q Mn1Q 131.8(11) . . ?
N2Q N1Q Mn1Q 114.6(7) . . ?
C8Q N2Q N1Q 102.7(10) . . ?
C8Q N2Q Mn1R 151.4(9) . . ?
N1Q N2Q Mn1R 105.8(6) . . ?
O1Q C1Q C6Q 117.2(5) . . ?
O1Q C1Q C2Q 122.2(5) . . ?
C6Q C1Q C2Q 120.0 . . ?
C3Q C2Q C1Q 120.0 . . ?
C2Q C3Q C4Q 120.0 . . ?
C5Q C4Q C3Q 120.0 . . ?
C4Q C5Q C6Q 120.0 . . ?
C5Q C6Q C1Q 120.0 . . ?
C5Q C6Q C7Q 110.2(8) . . ?
C1Q C6Q C7Q 128.8(7) . . ?
O2Q C7Q N1Q 121.8(14) . . ?
O2Q C7Q C6Q 123.6(14) . . ?
N1Q C7Q C6Q 114.1(16) . . ?
O3Q C8Q N2Q 130.0(13) . . ?
O3Q C8Q C9Q 126.4(12) . . ?
N2Q C8Q C9Q 103.6(12) . . ?
C8Q C9Q C10Q 109.6(9) . . ?
C11Q C10Q C17Q 113.5 . . ?
C11Q C10Q C9Q 109.6(5) . . ?
C17Q C10Q C9Q 107.2(5) . . ?
C12Q C11Q C16Q 120.0 . . ?
C12Q C11Q C10Q 117.4 . . ?
C16Q C11Q C10Q 122.5 . . ?
C13Q C12Q C11Q 120.0 . . ?
C14Q C13Q C12Q 120.0 . . ?
C13Q C14Q C15Q 120.0 . . ?
C16Q C15Q C14Q 120.0 . . ?
C15Q C16Q C11Q 120.0 . . ?
C18Q C17Q C22Q 120.0 . . ?
C18Q C17Q C10Q 113.5 . . ?
C22Q C17Q C10Q 126.5 . . ?
C19Q C18Q C17Q 120.0 . . ?
C18Q C19Q C20Q 120.0 . . ?
C21Q C20Q C19Q 120.0 . . ?
C20Q C21Q C22Q 120.0 . . ?
C21Q C22Q C17Q 120.0 . . ?
O4Q C23Q C24Q 114(2) . . ?
O2Q Mn1R O3R 90.7(4) . . ?
O2Q Mn1R O1R 98.3(4) . . ?
O3R Mn1R O1R 169.4(4) . . ?
O2Q Mn1R N1R 167.9(4) . . ?
O3R Mn1R N1R 77.9(4) . . ?
O1R Mn1R N1R 93.4(4) . . ?
O2Q Mn1R N2Q 78.4(4) . . ?
O3R Mn1R N2Q 88.6(3) . . ?
O1R Mn1R N2Q 87.7(3) . . ?
N1R Mn1R N2Q 105.1(4) . . ?
O2Q Mn1R O4R 84.3(4) . . ?
O3R Mn1R O4R 93.4(5) . . ?
O1R Mn1R O4R 93.1(5) . . ?
N1R Mn1R O4R 92.2(4) . . ?
N2Q Mn1R O4R 162.6(4) . . ?
C1R O1R Mn1R 125.8(7) . . ?
C7R O2R Mn1S 124.5(12) . . ?
C8R O3R Mn1R 113.9(9) . . ?
C23R O4R Mn1R 139.6(19) . . ?
C7R N1R N2R 128.1(11) . . ?
C7R N1R Mn1R 118.3(9) . . ?
N2R N1R Mn1R 113.0(7) . . ?
C8R N2R N1R 117.1(10) . . ?
C8R N2R Mn1S 139.7(9) . . ?
N1R N2R Mn1S 103.0(5) . . ?
O1R C1R C2R 109.9(5) . . ?
O1R C1R C6R 129.7(5) . . ?
C2R C1R C6R 120.0 . . ?
C1R C2R C3R 120.0 . . ?
C4R C3R C2R 120.0 . . ?
C3R C4R C5R 120.0 . . ?
C6R C5R C4R 120.0 . . ?
C5R C6R C1R 120.0 . . ?
C5R C6R C7R 123.9(7) . . ?
C1R C6R C7R 116.1(7) . . ?
O2R C7R N1R 109.8(15) . . ?
O2R C7R C6R 114.2(16) . . ?
N1R C7R C6R 136.0(12) . . ?
N2R C8R O3R 116.6(14) . . ?
N2R C8R C9R 123.9(12) . . ?
O3R C8R C9R 118.8(11) . . ?
C8R C9R C10R 107.8(9) . . ?
C11R C10R C17R 110.8 . . ?
C11R C10R C9R 109.6(5) . . ?
C17R C10R C9R 103.7(5) . . ?
C12R C11R C16R 120.0 . . ?
C12R C11R C10R 113.2 . . ?
C16R C11R C10R 126.7 . . ?
C11R C12R C13R 120.0 . . ?
C14R C13R C12R 120.0 . . ?
C15R C14R C13R 120.0 . . ?
C14R C15R C16R 120.0 . . ?
C15R C16R C11R 120.0 . . ?
C18R C17R C22R 120.0 . . ?
C18R C17R C10R 120.2 . . ?
C22R C17R C10R 119.8 . . ?
C17R C18R C19R 120.0 . . ?
C18R C19R C20R 120.0 . . ?
C21R C20R C19R 120.0 . . ?
C20R C21R C22R 120.0 . . ?
C21R C22R C17R 120.0 . . ?
O4R C23R C24R 139(4) . . ?
N1S Mn1S O1S 88.6(4) . . ?
N1S Mn1S O3S 79.2(4) . . ?
O1S Mn1S O3S 167.7(4) . . ?
N1S Mn1S O2R 175.0(5) . . ?
O1S Mn1S O2R 93.0(4) . . ?
O3S Mn1S O2R 99.2(4) . . ?
N1S Mn1S O4S 94.8(5) . . ?
O1S Mn1S O4S 92.7(5) . . ?
O3S Mn1S O4S 88.6(4) . . ?
O2R Mn1S O4S 89.9(5) . . ?
N1S Mn1S N2R 101.1(4) . . ?
O1S Mn1S N2R 88.7(3) . . ?
O3S Mn1S N2R 93.4(3) . . ?
O2R Mn1S N2R 74.2(3) . . ?
O4S Mn1S N2R 164.1(4) . . ?
C1S O1S Mn1S 133.0(7) . . ?
C7S O2S Mn1T 119.4(9) . . ?
C8S O3S Mn1S 114.4(8) . . ?
C23S O4S Mn1S 128.2(13) . . ?
C7S N1S N2S 111.5(11) . . ?
C7S N1S Mn1S 134.0(11) . . ?
N2S N1S Mn1S 114.2(7) . . ?
C8S N2S N1S 110.4(9) . . ?
C8S N2S Mn1T 140.0(7) . . ?
N1S N2S Mn1T 109.6(6) . . ?
O1S C1S C6S 117.7(5) . . ?
O1S C1S C2S 122.3(5) . . ?
C6S C1S C2S 120.0 . . ?
C3S C2S C1S 120.0 . . ?
C2S C3S C4S 120.0 . . ?
C5S C4S C3S 120.0 . . ?
C4S C5S C6S 120.0 . . ?
C5S C6S C1S 120.0 . . ?
C5S C6S C7S 108.3(7) . . ?
C1S C6S C7S 131.7(7) . . ?
O2S C7S N1S 122.4(15) . . ?
O2S C7S C6S 124.3(12) . . ?
N1S C7S C6S 113.3(14) . . ?
O3S C8S N2S 121.2(12) . . ?
O3S C8S C9S 120.3(11) . . ?
N2S C8S C9S 117.2(11) . . ?
C10S C9S C8S 108.6(11) . . ?
C11S C10S C17S 111.6 . . ?
C11S C10S C9S 119.0(6) . . ?
C17S C10S C9S 95.4(7) . . ?
C12S C11S C16S 120.0 . . ?
C12S C11S C10S 119.8 . . ?
C16S C11S C10S 120.2 . . ?
C13S C12S C11S 120.0 . . ?
C12S C13S C14S 120.0 . . ?
C13S C14S C15S 120.0 . . ?
C16S C15S C14S 120.0 . . ?
C15S C16S C11S 120.0 . . ?
C18S C17S C22S 120.0 . . ?
C18S C17S C10S 130.3 . . ?
C22S C17S C10S 109.7 . . ?
C17S C18S C19S 120.0 . . ?
C18S C19S C20S 120.0 . . ?
C21S C20S C19S 120.0 . . ?
C20S C21S C22S 120.0 . . ?
C21S C22S C17S 120.0 . . ?
O4S C23S C24S 99.6(17) . . ?
O1T Mn1T N1T 92.1(4) . . ?
O1T Mn1T O2S 98.6(4) . . ?
N1T Mn1T O2S 168.3(4) . . ?
O1T Mn1T O3T 169.8(4) . . ?
N1T Mn1T O3T 78.0(4) . . ?
O2S Mn1T O3T 91.5(4) . . ?
O1T Mn1T O4T 91.2(4) . . ?
N1T Mn1T O4T 92.2(3) . . ?
O2S Mn1T O4T 83.0(3) . . ?
O3T Mn1T O4T 91.7(3) . . ?
O1T Mn1T N2S 87.8(4) . . ?
N1T Mn1T N2S 109.7(3) . . ?
O2S Mn1T N2S 75.6(3) . . ?
O3T Mn1T N2S 93.1(3) . . ?
O4T Mn1T N2S 158.2(3) . . ?
C1T O1T Mn1T 127.4(6) . . ?
C7T O2T Mn1A 121.0(9) . . ?
C8T O3T Mn1T 113.2(9) . . ?
C23T O4T Mn1T 136.9(10) . . ?
C7T N1T N2T 112.8(9) . . ?
C7T N1T Mn1T 130.7(9) . . ?
N2T N1T Mn1T 115.9(7) . . ?
C8T N2T N1T 113.7(8) . . ?
C8T N2T Mn1A 138.5(7) . . ?
N1T N2T Mn1A 107.8(6) . . ?
O1T C1T C2T 112.2(4) . . ?
O1T C1T C6T 127.7(4) . . ?
C2T C1T C6T 120.0 . . ?
C3T C2T C1T 120.0 . . ?
C2T C3T C4T 120.0 . . ?
C5T C4T C3T 120.0 . . ?
C6T C5T C4T 120.0 . . ?
C5T C6T C1T 120.0 . . ?
C5T C6T C7T 119.5(6) . . ?
C1T C6T C7T 120.3(6) . . ?
O2T C7T N1T 123.6(12) . . ?
O2T C7T C6T 116.4(13) . . ?
N1T C7T C6T 120.0(12) . . ?
N2T C8T O3T 117.1(12) . . ?
N2T C8T C9T 124.1(10) . . ?
O3T C8T C9T 118.4(12) . . ?
C10T C9T C8T 113.1(9) . . ?
C9T C10T C11T 113.1(5) . . ?
C9T C10T C17T 114.1(6) . . ?
C11T C10T C17T 105.7 . . ?
C12T C11T C16T 120.0 . . ?
C12T C11T C10T 123.3 . . ?
C16T C11T C10T 116.2 . . ?
C11T C12T C13T 120.0 . . ?
C14T C13T C12T 120.0 . . ?
C15T C14T C13T 120.0 . . ?
C14T C15T C16T 120.0 . . ?
C15T C16T C11T 120.0 . . ?
C18T C17T C22T 120.0 . . ?
C18T C17T C10T 125.4 . . ?
C22T C17T C10T 114.6 . . ?
C19T C18T C17T 120.0 . . ?
C18T C19T C20T 120.0 . . ?
C21T C20T C19T 120.0 . . ?
C20T C21T C22T 120.0 . . ?
C17T C22T C21T 120.0 . . ?
O4T C23T C24T 99.9(15) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mn1A O2T 1.916(9) . ?
Mn1A O1A 1.922(11) . ?
Mn1A O3A 1.950(10) . ?
Mn1A N1A 2.009(11) . ?
Mn1A O4A 2.200(11) . ?
Mn1A N2T 2.304(7) . ?
O1A C1A 1.196(12) . ?
O2A C7A 1.331(16) . ?
O2A Mn1B 2.003(10) . ?
O3A C8A 1.310(14) . ?
O4A C23A 1.421(19) . ?
N1A C7A 1.261(15) . ?
N1A N2A 1.440(12) . ?
N2A C8A 1.197(16) . ?
N2A Mn1B 2.224(8) . ?
C1A C2A 1.3900 . ?
C1A C6A 1.3900 . ?
C2A C3A 1.3900 . ?
C2A C7A 1.492(16) . ?
C3A C4A 1.3900 . ?
C4A C5A 1.3900 . ?
C5A C6A 1.3900 . ?
C8A C9A 1.454(19) . ?
C9A C10A 1.599(17) . ?
C10A C11A 1.4327 . ?
C10A C17A 1.6198 . ?
C11A C12A 1.3900 . ?
C11A C16A 1.3900 . ?
C12A C13A 1.3900 . ?
C13A C14A 1.3900 . ?
C14A C15A 1.3900 . ?
C15A C16A 1.3900 . ?
C17A C18A 1.3900 . ?
C17A C22A 1.3900 . ?
C18A C19A 1.3900 . ?
C19A C20A 1.3900 . ?
C20A C21A 1.3900 . ?
C21A C22A 1.3900 . ?
C23A C24A 1.516(19) . ?
Mn1B N1B 1.871(15) . ?
Mn1B O1B 1.919(12) . ?
Mn1B O3B 1.933(9) . ?
Mn1B O4B 2.248(12) . ?
O1B C1B 1.322(14) . ?
O2B C7B 1.274(15) . ?
O2B Mn1C 1.968(11) . ?
O3B C8B 1.308(16) . ?
O4B C23B 1.345(17) . ?
N1B N2B 1.372(12) . ?
N1B C7B 1.39(2) . ?
N2B C8B 1.235(17) . ?
N2B Mn1C 2.367(8) . ?
C1B C2B 1.3900 . ?
C1B C6B 1.3900 . ?
C2B C3B 1.3900 . ?
C3B C4B 1.3900 . ?
C4B C5B 1.3900 . ?
C5B C6B 1.3900 . ?
C6B C7B 1.590(17) . ?
C8B C9B 1.512(14) . ?
C9B C10B 1.603(14) . ?
C10B C17B 0.8497 . ?
C10B C11B 1.5600 . ?
C11B C12B 1.3900 . ?
C11B C16B 1.3900 . ?
C12B C13B 1.3900 . ?
C13B C14B 1.3900 . ?
C14B C15B 1.3900 . ?
C15B C16B 1.3900 . ?
C17B C18B 1.3900 . ?
C17B C22B 1.3900 . ?
C18B C19B 1.3900 . ?
C19B C20B 1.3900 . ?
C20B C21B 1.3900 . ?
C21B C22B 1.3900 . ?
C23B C24B 1.451(19) . ?
Mn1C O1C 1.767(14) . ?
Mn1C O3C 1.834(10) . ?
Mn1C N1C 1.919(12) . ?
Mn1C O4C 2.233(12) . ?
O1C C1C 1.345(16) . ?
O2C C7C 1.34(3) . ?
O2C Mn1D 1.931(12) . ?
O3C C8C 1.249(15) . ?
O4C C23C 1.423(15) . ?
N1C N2C 1.340(11) . ?
N1C C7C 1.54(2) . ?
N2C C8C 1.347(15) . ?
N2C Mn1D 2.230(9) . ?
C1C C6C 1.3900 . ?
C1C C2C 1.3900 . ?
C2C C3C 1.3900 . ?
C3C C4C 1.3900 . ?
C4C C5C 1.3900 . ?
C5C C6C 1.3900 . ?
C6C C7C 1.44(2) . ?
C8C C9C 1.65(2) . ?
C9C C10C 1.28(2) . ?
C10C C17C 1.5707 . ?
C10C C11C 1.5758 . ?
C11C C12C 1.3899 . ?
C11C C16C 1.3901 . ?
C12C C13C 1.3900 . ?
C13C C14C 1.3900 . ?
C14C C15C 1.3900 . ?
C15C C16C 1.3900 . ?
C17C C22C 1.3899 . ?
C17C C18C 1.3900 . ?
C18C C19C 1.3900 . ?
C19C C20C 1.3899 . ?
C20C C21C 1.3900 . ?
C21C C22C 1.3900 . ?
C23C C24C 1.441(18) . ?
Mn1D O1D 1.854(10) . ?
Mn1D N1D 1.875(13) . ?
Mn1D O3D 1.935(9) . ?
Mn1D O4D 2.209(13) . ?
O1D C1D 1.273(11) . ?
O2D C7D 1.264(14) . ?
O2D Mn1E 1.966(8) . ?
O3D C8D 1.148(17) . ?
O4D C23D 1.417(18) . ?
N1D C7D 1.295(17) . ?
N1D N2D 1.423(12) . ?
N2D C8D 1.395(17) . ?
N2D Mn1E 2.309(7) . ?
C1D C2D 1.3900 . ?
C1D C6D 1.3900 . ?
C2D C3D 1.3900 . ?
C3D C4D 1.3900 . ?
C4D C5D 1.3900 . ?
C5D C6D 1.3900 . ?
C6D C7D 1.540(13) . ?
C8D C9D 1.650(19) . ?
C9D C10D 1.637(13) . ?
C10D C11D 1.4468 . ?
C10D C17D 1.5128 . ?
C11D C12D 1.3900 . ?
C11D C16D 1.3900 . ?
C12D C13D 1.3900 . ?
C13D C14D 1.3900 . ?
C14D C15D 1.3900 . ?
C15D C16D 1.3900 . ?
C17D C18D 1.3900 . ?
C17D C22D 1.3900 . ?
C18D C19D 1.3900 . ?
C19D C20D 1.3900 . ?
C20D C21D 1.3900 . ?
C21D C22D 1.3900 . ?
C23D C24D 1.492(18) . ?
Mn1E O3E 1.844(10) . ?
Mn1E O1E 1.937(8) . ?
Mn1E N1E 1.956(10) . ?
Mn1E O4E 2.131(11) . ?
O1E C1E 1.369(9) . ?
O2E C7E 1.292(13) . ?
O2E Mn1F 1.962(8) . ?
O3E C8E 1.365(16) . ?
O4E C23E 1.430(17) . ?
N1E C7E 1.327(14) . ?
N1E N2E 1.460(12) . ?
N2E C8E 1.346(14) . ?
N2E Mn1F 2.197(5) . ?
C1E C6E 1.3900 . ?
C1E C2E 1.3900 . ?
C2E C3E 1.3899 . ?
C3E C4E 1.3900 . ?
C4E C5E 1.3900 . ?
C5E C6E 1.3900 . ?
C6E C7E 1.494(12) . ?
C8E C9E 1.554(19) . ?
C9E C10E 1.713(17) . ?
C10E C17E 1.2324 . ?
C10E C11E 1.8794 . ?
C11E C12E 1.3900 . ?
C11E C16E 1.3900 . ?
C12E C13E 1.3900 . ?
C13E C14E 1.3900 . ?
C14E C15E 1.3899 . ?
C15E C16E 1.3900 . ?
C17E C18E 1.3900 . ?
C17E C22E 1.3900 . ?
C18E C19E 1.3900 . ?
C19E C20E 1.3900 . ?
C20E C21E 1.3900 . ?
C21E C22E 1.3900 . ?
C23E C24E 1.482(18) . ?
Mn1F O1F 1.859(8) . ?
Mn1F N1F 1.898(11) . ?
Mn1F O3F 1.920(8) . ?
Mn1F O4F 2.213(10) . ?
O1F C1F 1.300(9) . ?
O2F C7F 1.133(15) . ?
O2F Mn1G 1.906(10) . ?
O3F C8F 1.365(13) . ?
O4F C23F 1.156(13) . ?
N1F N2F 1.344(10) . ?
N1F C7F 1.509(17) . ?
N2F C8F 1.314(13) . ?
N2F Mn1G 2.254(6) . ?
C1F C2F 1.3900 . ?
C1F C6F 1.3900 . ?
C2F C3F 1.3900 . ?
C3F C4F 1.3900 . ?
C4F C5F 1.3900 . ?
C5F C6F 1.3900 . ?
C6F C7F 1.531(15) . ?
C8F C9F 1.518(16) . ?
C9F C10F 1.470(11) . ?
C10F C11F 1.4780 . ?
C10F C17F 1.5100 . ?
C11F C12F 1.3900 . ?
C11F C16F 1.3900 . ?
C12F C13F 1.3900 . ?
C13F C14F 1.3900 . ?
C14F C15F 1.3900 . ?
C15F C16F 1.3900 . ?
C17F C22F 1.3900 . ?
C17F C18F 1.3900 . ?
C18F C19F 1.3900 . ?
C19F C20F 1.3900 . ?
C20F C21F 1.3900 . ?
C21F C22F 1.3900 . ?
N3F C23F 1.381(14) . ?
N3F C25F 1.444(14) . ?
N3F C24F 1.460(17) . ?
Mn1G O1G 1.909(9) . ?
Mn1G N1G 1.941(11) . ?
Mn1G O3G 1.972(10) . ?
Mn1G O4G 2.266(11) . ?
Mn1G C8G 2.610(18) . ?
O1G C1G 1.455(12) . ?
O2G C7G 1.217(14) . ?
O2G Mn1H 2.047(8) . ?
O3G C8G 1.24(2) . ?
O4G C23G 1.367(16) . ?
N1G N2G 1.359(11) . ?
N1G C7G 1.372(14) . ?
N2G C8G 1.34(2) . ?
N2G Mn1H 2.232(7) . ?
C1G C2G 1.3900 . ?
C1G C6G 1.3900 . ?
C2G C3G 1.3900 . ?
C3G C4G 1.3900 . ?
C4G C5G 1.3900 . ?
C5G C6G 1.3900 . ?
C6G C7G 1.487(14) . ?
C8G C9G 1.69(2) . ?
C9G C10G 1.667(15) . ?
C10G C11G 1.3388 . ?
C10G C17G 1.6338 . ?
C11G C16G 1.3900 . ?
C11G C12G 1.3900 . ?
C12G C13G 1.3900 . ?
C13G C14G 1.3900 . ?
C14G C15G 1.3900 . ?
C15G C16G 1.3900 . ?
C17G C22G 1.3900 . ?
C17G C18G 1.3900 . ?
C18G C19G 1.3900 . ?
C19G C20G 1.3900 . ?
C20G C21G 1.3900 . ?
C21G C22G 1.3900 . ?
C23G C24G 1.456(16) . ?
Mn1H O1H 1.805(9) . ?
Mn1H N1H 1.895(11) . ?
Mn1H O3H 1.919(9) . ?
Mn1H O4H 2.206(11) . ?
O1H C1H 1.474(12) . ?
O2H C7H 1.312(16) . ?
O2H Mn1I 1.906(11) . ?
O3H C8H 1.336(13) . ?
O4H C23H 1.379(19) . ?
N1H C7H 1.376(19) . ?
N1H N2H 1.446(12) . ?
N2H C8H 1.303(15) . ?
N2H Mn1I 2.261(7) . ?
C1H C2H 1.3900 . ?
C1H C6H 1.3900 . ?
C2H C3H 1.3900 . ?
C3H C4H 1.3900 . ?
C4H C5H 1.3900 . ?
C5H C6H 1.3901 . ?
C6H C7H 1.462(14) . ?
C8H C9H 1.562(18) . ?
C9H C10H 1.450(14) . ?
C10H C11H 1.5051 . ?
C10H C17H 1.5909 . ?
C11H C16H 1.3900 . ?
C11H C12H 1.3900 . ?
C12H C13H 1.3900 . ?
C13H C14H 1.3900 . ?
C14H C15H 1.3900 . ?
C15H C16H 1.3900 . ?
C17H C18H 1.3900 . ?
C17H C22H 1.3900 . ?
C18H C19H 1.3900 . ?
C19H C20H 1.3900 . ?
C20H C21H 1.3900 . ?
C21H C22H 1.3900 . ?
C23H C24H 1.451(19) . ?
Mn1I N1I 1.902(10) . ?
Mn1I O1I 1.918(8) . ?
Mn1I O3I 1.926(9) . ?
Mn1I O4I 2.213(10) . ?
O1I C1I 1.364(11) . ?
O2I C7I 1.163(17) . ?
O2I Mn1J 2.047(11) . ?
O3I C8I 1.413(16) . ?
O4I C23I 1.391(15) . ?
N1I C7I 1.325(17) . ?
N1I N2I 1.409(11) . ?
N2I C8I 1.177(14) . ?
N2I Mn1J 2.249(8) . ?
C1I C2I 1.3900 . ?
C1I C6I 1.3901 . ?
C2I C3I 1.3900 . ?
C3I C4I 1.3900 . ?
C4I C5I 1.3900 . ?
C5I C6I 1.3900 . ?
C6I C7I 1.611(18) . ?
C8I C9I 1.395(19) . ?
C9I C10I 1.548(17) . ?
C10I C11I 1.5697 . ?
C10I C17I 1.5907 . ?
C11I C12I 1.3900 . ?
C11I C16I 1.3900 . ?
C12I C13I 1.3900 . ?
C13I C14I 1.3900 . ?
C14I C15I 1.3900 . ?
C15I C16I 1.3900 . ?
C17I C22I 1.3900 . ?
C17I C18I 1.3901 . ?
C18I C19I 1.3900 . ?
C19I C20I 1.3901 . ?
C20I C21I 1.3899 . ?
C21I C22I 1.3900 . ?
C23I C24I 1.468(16) . ?
Mn1J O1J 1.914(14) . ?
Mn1J O3J 1.948(11) . ?
Mn1J N1J 1.987(13) . ?
Mn1J O4J 2.268(14) . ?
O1J C1J 1.325(17) . ?
O2J Mn1K 1.433(16) . ?
O2J C7J 1.56(3) . ?
O3J C8J 1.32(2) . ?
O4J C23J 1.380(17) . ?
N1J N2J 1.459(15) . ?
N1J C7J 1.76(2) . ?
N2J C8J 1.204(18) . ?
N2J Mn1K 2.348(11) . ?
C1J C2J 1.3900 . ?
C1J C6J 1.3900 . ?
C2J C3J 1.3900 . ?
C3J C4J 1.3900 . ?
C4J C5J 1.3900 . ?
C5J C6J 1.3900 . ?
C6J C7J 1.79(2) . ?
C8J C9J 1.46(3) . ?
C9J C10J 1.85(2) . ?
C10J C17J 1.5602 . ?
C10J C11J 1.5797 . ?
C11J C12J 1.3900 . ?
C11J C16J 1.3900 . ?
C12J C13J 1.3900 . ?
C13J C14J 1.3900 . ?
C14J C15J 1.3899 . ?
C15J C16J 1.3900 . ?
C17J C18J 1.3900 . ?
C17J C22J 1.3900 . ?
C18J C19J 1.3900 . ?
C19J C20J 1.3900 . ?
C20J C21J 1.3900 . ?
C21J C22J 1.3900 . ?
C23J C24J 1.500(17) . ?
Mn1K O3K 1.960(9) . ?
Mn1K O1K 1.992(12) . ?
Mn1K N1K 2.031(16) . ?
Mn1K O4K 2.182(13) . ?
O1K C1K 1.450(17) . ?
O2K C7K 1.24(3) . ?
O2K Mn1L 1.948(11) . ?
O3K C8K 1.277(15) . ?
O4K C23K 1.458(16) . ?
N1K C7K 1.32(2) . ?
N1K N2K 1.389(13) . ?
N2K C8K 1.280(16) . ?
N2K Mn1L 2.287(11) . ?
C1K C2K 1.3900 . ?
C1K C6K 1.3900 . ?
C2K C3K 1.3900 . ?
C3K C4K 1.3900 . ?
C4K C5K 1.3900 . ?
C5K C6K 1.3900 . ?
C6K C7K 1.428(19) . ?
C8K C9K 1.534(17) . ?
C9K C10K 1.650(16) . ?
C10K C17K 1.5296 . ?
C10K C11K 1.5701 . ?
C11K C12K 1.3900 . ?
C11K C16K 1.3901 . ?
C12K C13K 1.3900 . ?
C13K C14K 1.3900 . ?
C14K C15K 1.3900 . ?
C15K C16K 1.3900 . ?
C17K C18K 1.3900 . ?
C17K C22K 1.3901 . ?
C18K C19K 1.3900 . ?
C19K C20K 1.3900 . ?
C20K C21K 1.3900 . ?
C21K C22K 1.3900 . ?
Mn1L O1L 1.851(11) . ?
Mn1L N1L 1.898(11) . ?
Mn1L O3L 1.921(11) . ?
Mn1L O4L 2.33(2) . ?
O1L C1L 1.312(13) . ?
O2L C7L 1.343(16) . ?
O2L Mn1M 1.971(8) . ?
O3L C8L 1.332(13) . ?
O4L C23L 1.41(2) . ?
N1L C7L 1.284(18) . ?
N1L N2L 1.348(10) . ?
N2L C8L 1.218(15) . ?
N2L Mn1M 2.282(7) . ?
C1L C6L 1.3899 . ?
C1L C2L 1.3900 . ?
C2L C3L 1.3900 . ?
C3L C4L 1.3900 . ?
C4L C5L 1.3900 . ?
C5L C6L 1.3901 . ?
C6L C7L 1.492(11) . ?
C8L C9L 1.639(19) . ?
C9L C10L 1.418(16) . ?
C10L C11L 1.5165 . ?
C10L C17L 1.6035 . ?
C11L C16L 1.3900 . ?
C11L C12L 1.3901 . ?
C12L C13L 1.3900 . ?
C13L C14L 1.3900 . ?
C14L C15L 1.3900 . ?
C15L C16L 1.3900 . ?
C17L C18L 1.3900 . ?
C17L C22L 1.3900 . ?
C18L C19L 1.3900 . ?
C19L C20L 1.3900 . ?
C20L C21L 1.3900 . ?
C21L C22L 1.3900 . ?
C23L C24L 1.45(2) . ?
Mn1M O1M 1.859(8) . ?
Mn1M N1M 1.965(10) . ?
Mn1M O3M 1.973(8) . ?
Mn1M O4M 2.242(8) . ?
O1M C1M 1.343(9) . ?
O2M C7M 1.277(13) . ?
O2M Mn1N 1.984(7) . ?
O3M C8M 1.322(13) . ?
O4M C23M 1.453(11) . ?
N1M C7M 1.297(14) . ?
N1M N2M 1.413(10) . ?
N2M C8M 1.264(12) . ?
N2M Mn1N 2.256(6) . ?
C1M C2M 1.3900 . ?
C1M C6M 1.3900 . ?
C2M C3M 1.3900 . ?
C3M C4M 1.3900 . ?
C4M C5M 1.3900 . ?
C5M C6M 1.3900 . ?
C6M C7M 1.530(14) . ?
C8M C9M 1.624(16) . ?
C9M C10M 1.574(13) . ?
C10M C17M 1.4470 . ?
C10M C11M 1.5347 . ?
C11M C12M 1.3900 . ?
C11M C16M 1.3901 . ?
C12M C13M 1.3900 . ?
C13M C14M 1.3900 . ?
C14M C15M 1.3899 . ?
C15M C16M 1.3900 . ?
C17M C18M 1.3900 . ?
C17M C22M 1.3901 . ?
C18M C19M 1.3900 . ?
C19M C20M 1.3900 . ?
C20M C21M 1.3900 . ?
C21M C22M 1.3900 . ?
C23M C24M 1.435(15) . ?
Mn1N N1N 1.902(8) . ?
Mn1N O3N 1.926(6) . ?
Mn1N O1N 1.928(8) . ?
Mn1N O4N 2.265(8) . ?
O1N C1N 1.259(9) . ?
O2N C7N 1.392(11) . ?
O2N Mn1O 1.960(7) . ?
O3N C8N 1.328(10) . ?
O4N C23N 1.383(11) . ?
N1N C7N 1.292(12) . ?
N1N N2N 1.424(9) . ?
N2N C8N 1.300(11) . ?
N2N Mn1O 2.256(5) . ?
C1N C2N 1.3899 . ?
C1N C6N 1.3900 . ?
C2N C3N 1.3900 . ?
C3N C4N 1.3899 . ?
C4N C5N 1.3900 . ?
C5N C6N 1.3900 . ?
C6N C7N 1.472(10) . ?
C8N C9N 1.506(13) . ?
C9N C10N 1.529(11) . ?
C10N C17N 1.5749 . ?
C10N C11N 1.5878 . ?
C11N C12N 1.3900 . ?
C11N C16N 1.3900 . ?
C12N C13N 1.3900 . ?
C13N C14N 1.3900 . ?
C14N C15N 1.3900 . ?
C15N C16N 1.3900 . ?
C17N C18N 1.3900 . ?
C17N C22N 1.3900 . ?
C18N C19N 1.3900 . ?
C19N C20N 1.3900 . ?
C20N C21N 1.3900 . ?
C21N C22N 1.3900 . ?
C23N C24N 1.514(15) . ?
Mn1O O1O 1.908(7) . ?
Mn1O N1O 1.939(8) . ?
Mn1O O3O 1.991(7) . ?
Mn1O O4O 2.229(7) . ?
O1O C1O 1.378(7) . ?
O2O C7O 1.316(10) . ?
O2O Mn1P 2.010(6) . ?
O3O C8O 1.319(12) . ?
O4O C23O 1.374(12) . ?
N1O N2O 1.383(10) . ?
N1O C7O 1.386(13) . ?
N2O C8O 1.301(12) . ?
N2O Mn1P 2.175(5) . ?
C1O C6O 1.3900 . ?
C1O C2O 1.3900 . ?
C2O C3O 1.3900 . ?
C3O C4O 1.3900 . ?
C4O C5O 1.3900 . ?
C5O C6O 1.3900 . ?
C6O C7O 1.412(11) . ?
C8O C9O 1.440(15) . ?
C9O C10O 1.552(15) . ?
C10O C11O 1.4911 . ?
C10O C17O 1.5952 . ?
C11O C12O 1.3900 . ?
C11O C16O 1.3901 . ?
C12O C13O 1.3900 . ?
C13O C14O 1.3899 . ?
C14O C15O 1.3900 . ?
C15O C16O 1.3900 . ?
C17O C18O 1.3899 . ?
C17O C22O 1.3901 . ?
C18O C19O 1.3900 . ?
C19O C20O 1.3900 . ?
C20O C21O 1.3900 . ?
C21O C22O 1.3900 . ?
C23O C24O 1.491(14) . ?
Mn1P O1P 1.853(7) . ?
Mn1P N1P 1.961(8) . ?
Mn1P O3P 1.963(8) . ?
Mn1P O4P 2.322(8) . ?
O1P C1P 1.347(8) . ?
O2P C7P 1.294(11) . ?
O2P Mn1Q 1.929(10) . ?
O3P C8P 1.314(12) . ?
O4P C23P 1.472(12) . ?
N1P C7P 1.337(13) . ?
N1P N2P 1.383(8) . ?
N2P C8P 1.310(17) . ?
N2P Mn1Q 2.208(5) . ?
C1P C2P 1.3900 . ?
C1P C6P 1.3900 . ?
C2P C3P 1.3900 . ?
C3P C4P 1.3900 . ?
C4P C5P 1.3900 . ?
C5P C6P 1.3900 . ?
C6P C7P 1.375(13) . ?
C8P C9P 1.524(17) . ?
C9P C10P 1.582(14) . ?
C10P C17P 1.3852 . ?
C10P C11P 1.5708 . ?
C11P C12P 1.3900 . ?
C11P C16P 1.3900 . ?
C12P C13P 1.3900 . ?
C13P C14P 1.3900 . ?
C14P C15P 1.3900 . ?
C15P C16P 1.3900 . ?
C17P C18P 1.3900 . ?
C17P C22P 1.3900 . ?
C18P C19P 1.3900 . ?
C19P C20P 1.3900 . ?
C20P C21P 1.3900 . ?
C21P C22P 1.3900 . ?
C23P C24P 1.494(15) . ?
Mn1Q O3Q 1.910(8) . ?
Mn1Q N1Q 1.916(12) . ?
Mn1Q O1Q 1.924(10) . ?
Mn1Q O4Q 2.279(10) . ?
O1Q C1Q 1.344(13) . ?
O2Q C7Q 1.251(19) . ?
O2Q Mn1R 1.931(10) . ?
O3Q C8Q 1.270(14) . ?
O4Q C23Q 1.421(19) . ?
N1Q C7Q 1.329(17) . ?
N1Q N2Q 1.529(12) . ?
N2Q C8Q 1.276(14) . ?
N2Q Mn1R 2.166(8) . ?
C1Q C6Q 1.3900 . ?
C1Q C2Q 1.3901 . ?
C2Q C3Q 1.3900 . ?
C3Q C4Q 1.3901 . ?
C4Q C5Q 1.3899 . ?
C5Q C6Q 1.3900 . ?
C6Q C7Q 1.590(17) . ?
C8Q C9Q 1.547(16) . ?
C9Q C10Q 1.631(13) . ?
C10Q C11Q 1.4817 . ?
C10Q C17Q 1.5413 . ?
C11Q C12Q 1.3900 . ?
C11Q C16Q 1.3900 . ?
C12Q C13Q 1.3900 . ?
C13Q C14Q 1.3900 . ?
C14Q C15Q 1.3900 . ?
C15Q C16Q 1.3900 . ?
C17Q C18Q 1.3900 . ?
C17Q C22Q 1.3900 . ?
C18Q C19Q 1.3900 . ?
C19Q C20Q 1.3900 . ?
C20Q C21Q 1.3900 . ?
C21Q C22Q 1.3900 . ?
C23Q C24Q 1.499(19) . ?
Mn1R O3R 1.958(9) . ?
Mn1R O1R 1.989(10) . ?
Mn1R N1R 2.015(9) . ?
Mn1R O4R 2.300(14) . ?
O1R C1R 1.296(12) . ?
O2R C7R 1.297(14) . ?
O2R Mn1S 2.014(10) . ?
O3R C8R 1.425(13) . ?
O4R C23R 1.405(19) . ?
N1R C7R 1.307(19) . ?
N1R N2R 1.378(10) . ?
N2R C8R 1.222(14) . ?
N2R Mn1S 2.283(7) . ?
C1R C2R 1.3900 . ?
C1R C6R 1.3901 . ?
C2R C3R 1.3900 . ?
C3R C4R 1.3900 . ?
C4R C5R 1.3900 . ?
C5R C6R 1.3899 . ?
C6R C7R 1.458(19) . ?
C8R C9R 1.433(17) . ?
C9R C10R 1.636(12) . ?
C10R C11R 1.4330 . ?
C10R C17R 1.6301 . ?
C11R C12R 1.3900 . ?
C11R C16R 1.3900 . ?
C12R C13R 1.3900 . ?
C13R C14R 1.3900 . ?
C14R C15R 1.3899 . ?
C15R C16R 1.3900 . ?
C17R C18R 1.3900 . ?
C17R C22R 1.3900 . ?
C18R C19R 1.3900 . ?
C19R C20R 1.3900 . ?
C20R C21R 1.3900 . ?
C21R C22R 1.3900 . ?
C23R C24R 1.422(19) . ?
Mn1S N1S 1.920(11) . ?
Mn1S O1S 1.943(10) . ?
Mn1S O3S 1.964(10) . ?
Mn1S O4S 2.178(11) . ?
O1S C1S 1.334(11) . ?
O2S C7S 1.251(16) . ?
O2S Mn1T 1.990(8) . ?
O3S C8S 1.245(13) . ?
O4S C23S 1.429(16) . ?
N1S C7S 1.396(15) . ?
N1S N2S 1.427(12) . ?
N2S C8S 1.318(11) . ?
N2S Mn1T 2.245(7) . ?
C1S C6S 1.3900 . ?
C1S C2S 1.3900 . ?
C2S C3S 1.3900 . ?
C3S C4S 1.3900 . ?
C4S C5S 1.3900 . ?
C5S C6S 1.3900 . ?
C6S C7S 1.495(17) . ?
C8S C9S 1.602(19) . ?
C9S C10S 1.526(14) . ?
C10S C11S 1.4725 . ?
C10S C17S 1.5050 . ?
C11S C12S 1.3900 . ?
C11S C16S 1.3900 . ?
C12S C13S 1.3900 . ?
C13S C14S 1.3900 . ?
C14S C15S 1.3900 . ?
C15S C16S 1.3899 . ?
C17S C18S 1.3900 . ?
C17S C22S 1.3900 . ?
C18S C19S 1.3900 . ?
C19S C20S 1.3900 . ?
C20S C21S 1.3900 . ?
C21S C22S 1.3900 . ?
C23S C24S 1.503(18) . ?
Mn1T O1T 1.850(9) . ?
Mn1T N1T 1.948(9) . ?
Mn1T O3T 1.992(9) . ?
Mn1T O4T 2.178(8) . ?
O1T C1T 1.375(11) . ?
O2T C7T 1.259(14) . ?
O3T C8T 1.367(12) . ?
O4T C23T 1.454(15) . ?
N1T C7T 1.336(15) . ?
N1T N2T 1.387(10) . ?
N2T C8T 1.299(15) . ?
C1T C2T 1.3900 . ?
C1T C6T 1.3900 . ?
C2T C3T 1.3900 . ?
C3T C4T 1.3900 . ?
C4T C5T 1.3900 . ?
C5T C6T 1.3900 . ?
C6T C7T 1.521(14) . ?
C8T C9T 1.497(17) . ?
C9T C10T 1.408(13) . ?
C10T C11T 1.5131 . ?
C10T C17T 1.7586 . ?
C11T C12T 1.3900 . ?
C11T C16T 1.3900 . ?
C12T C13T 1.3900 . ?
C13T C14T 1.3900 . ?
C14T C15T 1.3900 . ?
C15T C16T 1.3900 . ?
C17T C18T 1.3900 . ?
C17T C22T 1.3900 . ?
C18T C19T 1.3900 . ?
C19T C20T 1.3900 . ?
C20T C21T 1.3900 . ?
C21T C22T 1.3900 . ?
C23T C24T 1.472(17) . ?
